All Chemical Compounds

Saturday, December 31, 2011

All Chemical Compounds Information

Product OPENEYE NAME: N-[(3R)-1-[2-cyclopropyl-5-(m-tolyl)thiazole-4-carbonyl]-3-piperidyl]quinoline-8-carboxamide
CAS Name: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-4-thiazolyl]-oxomethyl]-3-piperidinyl]-8-quinolinecarboxamide
IUPAC NAME: N-[(3R)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]quinoline-8-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]carbonyl]piperidin-3-yl]quinoline-8-carboxamide
MOLECULAR FORMULA: C29H28N4O2S
MOLECULAR WEIGHT: 496.62322
SMILES: CC1=CC=CC(=C1)C2=C(N=C(S2)C3CC3)C(=O)N4CCC[C@H](C4)NC(=O)C5=CC=CC6=C5N=CC=C6
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Product OPENEYE NAME: N-[(3R)-1-[2-cyclopropyl-5-(m-tolyl)thiazole-4-carbonyl]-3-piperidyl]isoquinoline-1-carboxamide
CAS Name: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-4-thiazolyl]-oxomethyl]-3-piperidinyl]-1-isoquinolinecarboxamide
IUPAC NAME: N-[(3R)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]isoquinoline-1-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]carbonyl]piperidin-3-yl]isoquinoline-1-carboxamide
MOLECULAR FORMULA: C29H28N4O2S
MOLECULAR WEIGHT: 496.62322
SMILES: CC1=CC=CC(=C1)C2=C(N=C(S2)C3CC3)C(=O)N4CCC[C@H](C4)NC(=O)C5=NC=CC6=CC=CC=C65
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Product OPENEYE NAME: N-[(3R)-1-[2-cyclopropyl-5-(m-tolyl)thiazole-4-carbonyl]-3-piperidyl]-2,5-dimethyl-pyrazole-3-carboxamide
CAS Name: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-4-thiazolyl]-oxomethyl]-3-piperidinyl]-2,5-dimethyl-3-pyrazolecarboxamide
IUPAC NAME: N-[(3R)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-2,5-dimethylpyrazole-3-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]carbonyl]piperidin-3-yl]-2,5-dimethyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C25H29N5O2S
MOLECULAR WEIGHT: 463.59506
SMILES: CC1=CC=CC(=C1)C2=C(N=C(S2)C3CC3)C(=O)N4CCC[C@H](C4)NC(=O)C5=CC(=NN5C)C
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Product OPENEYE NAME: N-[(3R)-1-[2-cyclopropyl-5-(4-fluorophenyl)thiazole-4-carbonyl]-3-piperidyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CAS Name: N-[(3R)-1-[[2-cyclopropyl-5-(4-fluorophenyl)-4-thiazolyl]-oxomethyl]-3-piperidinyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-carboxamide
IUPAC NAME: N-[(3R)-1-[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[[2-cyclopropyl-5-(4-fluorophenyl)-1,3-thiazol-4-yl]carbonyl]piperidin-3-yl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
MOLECULAR FORMULA: C25H24FN3O4S2
MOLECULAR WEIGHT: 513.604163
SMILES: C1C[C@H](CN(C1)C(=O)C2=C(SC(=N2)C3CC3)C4=CC=C(C=C4)F)NC(=O)C5=C6C(=CS5)OCCO6
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Product OPENEYE NAME: 1-[(3,5-ditert-butyl-4-methoxy-phenyl)methylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
CAS Name: 1-[(3,5-ditert-butyl-4-methoxyphenyl)methylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]-1-cyclohexanecarboxamide
IUPAC NAME: 1-[(3,5-ditert-butyl-4-methoxyphenyl)methylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
SYSTEMATIC NAME: 1-[(3,5-ditert-butyl-4-methoxy-phenyl)methylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
MOLECULAR FORMULA: C31H43F3N2O2
MOLECULAR WEIGHT: 532.68053
SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)CNC2(CCCCC2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: N-benzyl-1-[(3,5-ditert-butyl-4-methoxy-phenyl)methylamino]cyclohexanecarboxamide
CAS Name: 1-[(3,5-ditert-butyl-4-methoxyphenyl)methylamino]-N-(phenylmethyl)-1-cyclohexanecarboxamide
IUPAC NAME: N-benzyl-1-[(3,5-ditert-butyl-4-methoxyphenyl)methylamino]cyclohexane-1-carboxamide
SYSTEMATIC NAME: 1-[(3,5-ditert-butyl-4-methoxy-phenyl)methylamino]-N-(phenylmethyl)cyclohexane-1-carboxamide
MOLECULAR FORMULA: C30H44N2O2
MOLECULAR WEIGHT: 464.68256
SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)CNC2(CCCCC2)C(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: N-[1-[(3,5-ditert-butyl-4-methoxy-phenyl)methylcarbamoyl]cyclohexyl]-3-(trifluoromethyl)benzamide
CAS Name: N-[1-[[(3,5-ditert-butyl-4-methoxyphenyl)methylamino]-oxomethyl]cyclohexyl]-3-(trifluoromethyl)benzamide
IUPAC NAME: N-[1-[(3,5-ditert-butyl-4-methoxyphenyl)methylcarbamoyl]cyclohexyl]-3-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[1-[(3,5-ditert-butyl-4-methoxy-phenyl)methylcarbamoyl]cyclohexyl]-3-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C31H41F3N2O3
MOLECULAR WEIGHT: 546.66405
SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)CNC(=O)C2(CCCCC2)NC(=O)C3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: N-[1-[(3,5-ditert-butyl-4-methoxy-phenyl)methylcarbamoyl]cyclohexyl]-4-methoxy-benzamide
CAS Name: N-[1-[[(3,5-ditert-butyl-4-methoxyphenyl)methylamino]-oxomethyl]cyclohexyl]-4-methoxybenzamide
IUPAC NAME: N-[1-[(3,5-ditert-butyl-4-methoxyphenyl)methylcarbamoyl]cyclohexyl]-4-methoxybenzamide
SYSTEMATIC NAME: N-[1-[(3,5-ditert-butyl-4-methoxy-phenyl)methylcarbamoyl]cyclohexyl]-4-methoxy-benzamide
MOLECULAR FORMULA: C31H44N2O4
MOLECULAR WEIGHT: 508.69206
SMILES: CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)CNC(=O)C2(CCCCC2)NC(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 3,5-ditert-butyl-N-[1-(4-pyridylmethylcarbamoyl)cyclohexyl]benzamide
CAS Name: 3,5-ditert-butyl-N-[1-[oxo-(pyridin-4-ylmethylamino)methyl]cyclohexyl]benzamide
IUPAC NAME: 3,5-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]benzamide
SYSTEMATIC NAME: 3,5-ditert-butyl-N-[1-(pyridin-4-ylmethylcarbamoyl)cyclohexyl]benzamide
MOLECULAR FORMULA: C28H39N3O2
MOLECULAR WEIGHT: 449.62816
SMILES: CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2(CCCCC2)C(=O)NCC3=CC=NC=C3)C(C)(C)C
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Product OPENEYE NAME: N-(cyclopropylmethoxy)-7-[N-(difluoromethyl)-2,4-difluoro-anilino]-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: N-(cyclopropylmethoxy)-7-[N-(difluoromethyl)-2,4-difluoroanilino]-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: N-(cyclopropylmethoxy)-7-[N-(difluoromethyl)-2,4-difluoroanilino]-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: 7-[bis(fluoranyl)methyl-[2,4-bis(fluoranyl)phenyl]amino]-N-(cyclopropylmethoxy)-6-fluoranyl-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C20H18F5N3O3
MOLECULAR WEIGHT: 443.367236
SMILES: C1CC2=C(C(=C(C(=O)N2C1)F)N(C3=C(C=C(C=C3)F)F)C(F)F)C(=O)NOCC4CC4
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Product OPENEYE NAME: 7-[N-(difluoromethyl)-2,4-difluoro-anilino]-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
CAS Name: 7-[N-(difluoromethyl)-2,4-difluoroanilino]-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
IUPAC NAME: 7-[N-(difluoromethyl)-2,4-difluoroanilino]-6-fluoro-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylic acid
SYSTEMATIC NAME: 7-[bis(fluoranyl)methyl-[2,4-bis(fluoranyl)phenyl]amino]-6-fluoranyl-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxylic acid
MOLECULAR FORMULA: C16H11F5N2O3
MOLECULAR WEIGHT: 374.262156
SMILES: C1CC2=C(C(=C(C(=O)N2C1)F)N(C3=C(C=C(C=C3)F)F)C(F)F)C(=O)O
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Product OPENEYE NAME: N-(cyclopropylmethoxy)-6-fluoro-7-(2-fluoro-4-methylsulfanyl-anilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: N-(cyclopropylmethoxy)-6-fluoro-7-[2-fluoro-4-(methylthio)anilino]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: N-(cyclopropylmethoxy)-6-fluoro-7-(2-fluoro-4-methylsulfanylanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: N-(cyclopropylmethoxy)-6-fluoranyl-7-[(2-fluoranyl-4-methylsulfanyl-phenyl)amino]-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C20H21F2N3O3S
MOLECULAR WEIGHT: 421.460846
SMILES: CSC1=CC(=C(C=C1)NC2=C(C(=O)N3CCCC3=C2C(=O)NOCC4CC4)F)F
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Product OPENEYE NAME: 6-chloro-N-ethoxy-7-(2-fluoro-4-iodo-anilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: 6-chloro-N-ethoxy-7-(2-fluoro-4-iodoanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: 6-chloro-N-ethoxy-7-(2-fluoro-4-iodoanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: 6-chloranyl-N-ethoxy-7-[(2-fluoranyl-4-iodanyl-phenyl)amino]-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C17H16ClFIN3O3
MOLECULAR WEIGHT: 491.683113
SMILES: CCONC(=O)C1=C2CCCN2C(=O)C(=C1NC3=C(C=C(C=C3)I)F)Cl
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Product OPENEYE NAME: 6-chloro-7-(2-fluoro-4-iodo-anilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: 6-chloro-7-(2-fluoro-4-iodoanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: 6-chloro-7-(2-fluoro-4-iodoanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: 6-chloranyl-7-[(2-fluoranyl-4-iodanyl-phenyl)amino]-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C15H12ClFIN3O2
MOLECULAR WEIGHT: 447.630553
SMILES: C1CC2=C(C(=C(C(=O)N2C1)Cl)NC3=C(C=C(C=C3)I)F)C(=O)N
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Product OPENEYE NAME: N-ethoxy-7-(2-fluoro-4-iodo-anilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: N-ethoxy-7-(2-fluoro-4-iodoanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: N-ethoxy-7-(2-fluoro-4-iodoanilino)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: N-ethoxy-7-[(2-fluoranyl-4-iodanyl-phenyl)amino]-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C17H17FIN3O3
MOLECULAR WEIGHT: 457.238053
SMILES: CCONC(=O)C1=C2CCCN2C(=O)C=C1NC3=C(C=C(C=C3)I)F
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Product OPENEYE NAME: 7-(2-fluoro-4-iodo-anilino)-N-methoxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CAS Name: 7-(2-fluoro-4-iodoanilino)-N-methoxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
IUPAC NAME: 7-(2-fluoro-4-iodoanilino)-N-methoxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
SYSTEMATIC NAME: 7-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-methoxy-5-oxidanylidene-2,3-dihydro-1H-indolizine-8-carboxamide
MOLECULAR FORMULA: C16H15FIN3O3
MOLECULAR WEIGHT: 443.211473
SMILES: CONC(=O)C1=C2CCCN2C(=O)C=C1NC3=C(C=C(C=C3)I)F
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Product OPENEYE NAME: 1-[(1S,3S)-3-[3-(4-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-[(1S,3S)-3-[3-(4-chlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-[(1S,3S)-3-[3-(4-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-[(1S,3S)-3-[3-(4-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C18H23ClN4
MOLECULAR WEIGHT: 330.85502
SMILES: C1C[C@@H](C[C@H]1N2CCNCC2)N3C=CC(=N3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 1-[(1S,3R)-3-[3-(4-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-[(1S,3R)-3-[3-(4-chlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-[(1S,3R)-3-[3-(4-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-[(1S,3R)-3-[3-(4-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C18H23ClN4
MOLECULAR WEIGHT: 330.85502
SMILES: C1C[C@H](C[C@H]1N2CCNCC2)N3C=CC(=N3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(4-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
CAS Name: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(4-chlorophenyl)-1-pyrazolyl]cyclopentyl]piperazine
IUPAC NAME: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(4-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-4-[(1S,3S)-3-[3-(4-chlorophenyl)pyrazol-1-yl]cyclopentyl]piperazine
MOLECULAR FORMULA: C24H26Cl2N4
MOLECULAR WEIGHT: 441.39604
SMILES: C1C[C@@H](C[C@H]1N2CCN(CC2)C3=CC=CC=C3Cl)N4C=CC(=N4)C5=CC=C(C=C5)Cl
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All Chemical Compounds Information

Product OPENEYE NAME: (11Z,14Z,17E)-icosa-11,14,17-trienoic acid
CAS Name: (11Z,14Z,17E)-eicosa-11,14,17-trienoic acid
IUPAC NAME: (11Z,14Z,17E)-icosa-11,14,17-trienoic acid
SYSTEMATIC NAME: (11Z,14Z,17E)-icosa-11,14,17-trienoic acid
MOLECULAR FORMULA: C20H34O2
MOLECULAR WEIGHT: 306.48276
SMILES: CC/C=C/C/C=C\C/C=C\CCCCCCCCCC(=O)O
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Product OPENEYE NAME: N-(5-bromo-4-methyl-thiazol-2-yl)-2-[(2-chlorophenyl)methylamino]acetamide
CAS Name: N-(5-bromo-4-methyl-2-thiazolyl)-2-[(2-chlorophenyl)methylamino]acetamide
IUPAC NAME: N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-[(2-chlorophenyl)methylamino]acetamide
SYSTEMATIC NAME: N-(5-bromanyl-4-methyl-1,3-thiazol-2-yl)-2-[(2-chlorophenyl)methylamino]ethanamide
MOLECULAR FORMULA: C13H13BrClN3OS
MOLECULAR WEIGHT: 374.68382
SMILES: CC1=C(SC(=N1)NC(=O)CNCC2=CC=CC=C2Cl)Br
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Product OPENEYE NAME: N-(5-bromothiazol-2-yl)-2-[(3-methoxyphenyl)methylamino]acetamide
CAS Name: N-(5-bromo-2-thiazolyl)-2-[(3-methoxyphenyl)methylamino]acetamide
IUPAC NAME: N-(5-bromo-1,3-thiazol-2-yl)-2-[(3-methoxyphenyl)methylamino]acetamide
SYSTEMATIC NAME: N-(5-bromanyl-1,3-thiazol-2-yl)-2-[(3-methoxyphenyl)methylamino]ethanamide
MOLECULAR FORMULA: C13H14BrN3O2S
MOLECULAR WEIGHT: 356.23816
SMILES: COC1=CC=CC(=C1)CNCC(=O)NC2=NC=C(S2)Br
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Product OPENEYE NAME: N-(5-bromothiazol-2-yl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
CAS Name: N-(5-bromo-2-thiazolyl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
IUPAC NAME: N-(5-bromo-1,3-thiazol-2-yl)-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
SYSTEMATIC NAME: N-(5-bromanyl-1,3-thiazol-2-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanamide
MOLECULAR FORMULA: C14H16BrN3O3S
MOLECULAR WEIGHT: 386.26414
SMILES: COC1=C(C=C(C=C1)CNCC(=O)NC2=NC=C(S2)Br)OC
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Product OPENEYE NAME: 2-(benzylamino)-N-(5-methylthiazol-2-yl)acetamide
CAS Name: N-(5-methyl-2-thiazolyl)-2-[(phenylmethyl)amino]acetamide
IUPAC NAME: 2-(benzylamino)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: N-(5-methyl-1,3-thiazol-2-yl)-2-[(phenylmethyl)amino]ethanamide
MOLECULAR FORMULA: C13H15N3OS
MOLECULAR WEIGHT: 261.3427
SMILES: CC1=CN=C(S1)NC(=O)CNCC2=CC=CC=C2
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Product OPENEYE NAME: N-(4,5-dimethylthiazol-2-yl)-2-[(4-nitrophenyl)methylamino]acetamide
CAS Name: N-(4,5-dimethyl-2-thiazolyl)-2-[(4-nitrophenyl)methylamino]acetamide
IUPAC NAME: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4-nitrophenyl)methylamino]acetamide
SYSTEMATIC NAME: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4-nitrophenyl)methylamino]ethanamide
MOLECULAR FORMULA: C14H16N4O3S
MOLECULAR WEIGHT: 320.36684
SMILES: CC1=C(SC(=N1)NC(=O)CNCC2=CC=C(C=C2)[N+](=O)[O-])C
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Product OPENEYE NAME: 2-[(4-fluorophenyl)methylamino]-N-(5-methylthiazol-2-yl)acetamide
CAS Name: 2-[(4-fluorophenyl)methylamino]-N-(5-methyl-2-thiazolyl)acetamide
IUPAC NAME: 2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-[(4-fluorophenyl)methylamino]-N-(5-methyl-1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C13H14FN3OS
MOLECULAR WEIGHT: 279.333163
SMILES: CC1=CN=C(S1)NC(=O)CNCC2=CC=C(C=C2)F
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Product OPENEYE NAME: 2-[5-(1-morpholinocyclohexyl)-4H-triazol-4-yl]ethyl N-(1-naphthyl)carbamate
CAS Name: N-(1-naphthalenyl)carbamic acid 2-[5-[1-(4-morpholinyl)cyclohexyl]-4H-triazol-4-yl]ethyl ester
IUPAC NAME: 2-[5-(1-morpholin-4-ylcyclohexyl)-4H-triazol-4-yl]ethyl N-naphthalen-1-ylcarbamate
SYSTEMATIC NAME: 2-[5-(1-morpholin-4-ylcyclohexyl)-4H-1,2,3-triazol-4-yl]ethyl N-naphthalen-1-ylcarbamate
MOLECULAR FORMULA: C25H31N5O3
MOLECULAR WEIGHT: 449.54534
SMILES: C1CCC(CC1)(C2=NN=NC2CCOC(=O)NC3=CC=CC4=CC=CC=C43)N5CCOCC5
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Product OPENEYE NAME: N-[(3R)-1-[2-cyclopropyl-5-(m-tolyl)thiazole-4-carbonyl]-3-piperidyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide
CAS Name: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-4-thiazolyl]-oxomethyl]-3-piperidinyl]-2-ethyl-5-methyl-3-pyrazolecarboxamide
IUPAC NAME: N-[(3R)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
SYSTEMATIC NAME: N-[(3R)-1-[[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazol-4-yl]carbonyl]piperidin-3-yl]-2-ethyl-5-methyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C26H31N5O2S
MOLECULAR WEIGHT: 477.62164
SMILES: CCN1C(=CC(=N1)C)C(=O)N[C@@H]2CCCN(C2)C(=O)C3=C(SC(=N3)C4CC4)C5=CC(=CC=C5)C
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All Chemical Compounds Information

Product OPENEYE NAME: 2-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]ethanol
CAS Name: 2-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]ethanol
IUPAC NAME: 2-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]ethanol
SYSTEMATIC NAME: 2-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]ethanol
MOLECULAR FORMULA: C12H17NO5S
MOLECULAR WEIGHT: 287.33208
SMILES: CS(=O)(=O)C1=CC2=C(C=C1)OCC(O2)CNCCO
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Product OPENEYE NAME: N,N-dimethyl-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-amine
CAS Name: N,N-dimethyl-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-amine
IUPAC NAME: N,N-dimethyl-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-amine
SYSTEMATIC NAME: N,N-dimethyl-6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-amine
MOLECULAR FORMULA: C11H15NO4S
MOLECULAR WEIGHT: 257.3061
SMILES: CN(C)C1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 1-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]azetidine
CAS Name: 1-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]azetidine
IUPAC NAME: 1-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]azetidine
SYSTEMATIC NAME: 1-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]azetidine
MOLECULAR FORMULA: C13H17NO4S
MOLECULAR WEIGHT: 283.34338
SMILES: CS(=O)(=O)C1=CC2=C(C=C1)OCC(O2)CN3CCC3
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Product OPENEYE NAME: 2-morpholinoethyl 5-[3-[(2S)-1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxo-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
CAS Name: 5-[3-[(2S)-1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxo-2-pyrrolidinyl]propyl]-2-thiophenecarboxylic acid 2-(4-morpholinyl)ethyl ester
IUPAC NAME: 2-morpholin-4-ylethyl 5-[3-[(2S)-1-[4-[(1S)-1-hydroxyhexyl]phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 5-[3-[(2S)-1-[4-[(1S)-1-oxidanylhexyl]phenyl]-5-oxidanylidene-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C30H42N2O5S
MOLECULAR WEIGHT: 542.72988
SMILES: CCCCC[C@@H](C1=CC=C(C=C1)N2[C@H](CCC2=O)CCCC3=CC=C(S3)C(=O)OCCN4CCOCC4)O
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Product OPENEYE NAME: 2-hydroxyethyl 5-[3-[(2S)-1-[4-[(1R)-1-hydroxyhexyl]phenyl]-5-oxo-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
CAS Name: 5-[3-[(2S)-1-[4-[(1R)-1-hydroxyhexyl]phenyl]-5-oxo-2-pyrrolidinyl]propyl]-2-thiophenecarboxylic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 5-[3-[(2S)-1-[4-[(1R)-1-hydroxyhexyl]phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-hydroxyethyl 5-[3-[(2S)-1-[4-[(1R)-1-oxidanylhexyl]phenyl]-5-oxidanylidene-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C26H35NO5S
MOLECULAR WEIGHT: 473.6248
SMILES: CCCCC[C@H](C1=CC=C(C=C1)N2[C@H](CCC2=O)CCCC3=CC=C(S3)C(=O)OCCO)O
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Product OPENEYE NAME: 2-morpholinoethyl 5-[3-[(2S)-1-[4-[(1R)-1-hydroxyhexyl]phenyl]-5-oxo-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
CAS Name: 5-[3-[(2S)-1-[4-[(1R)-1-hydroxyhexyl]phenyl]-5-oxo-2-pyrrolidinyl]propyl]-2-thiophenecarboxylic acid 2-(4-morpholinyl)ethyl ester
IUPAC NAME: 2-morpholin-4-ylethyl 5-[3-[(2S)-1-[4-[(1R)-1-hydroxyhexyl]phenyl]-5-oxopyrrolidin-2-yl]propyl]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 5-[3-[(2S)-1-[4-[(1R)-1-oxidanylhexyl]phenyl]-5-oxidanylidene-pyrrolidin-2-yl]propyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C30H42N2O5S
MOLECULAR WEIGHT: 542.72988
SMILES: CCCCC[C@H](C1=CC=C(C=C1)N2[C@H](CCC2=O)CCCC3=CC=C(S3)C(=O)OCCN4CCOCC4)O
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Product OPENEYE NAME: N-[(6-bromo-2-oxo-1H-quinolin-3-yl)-phenyl-methyl]-2-(dimethylamino)-N-(1-naphthyl)acetamide hydrochloride
CAS Name: N-[(6-bromo-2-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-(dimethylamino)-N-(1-naphthalenyl)acetamide hydrochloride
IUPAC NAME: N-[(6-bromo-2-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-(dimethylamino)-N-naphthalen-1-ylacetamide hydrochloride
SYSTEMATIC NAME: N-[(6-bromanyl-2-oxidanylidene-1H-quinolin-3-yl)-phenyl-methyl]-2-(dimethylamino)-N-naphthalen-1-yl-ethanamide hydrochloride
MOLECULAR FORMULA: C30H27BrClN3O2
MOLECULAR WEIGHT: 576.91128
SMILES: CN(C)CC(=O)N(C1=CC=CC2=CC=CC=C21)C(C3=CC=CC=C3)C4=CC5=C(C=CC(=C5)Br)NC4=O.Cl
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Product OPENEYE NAME: N-[(6-bromo-2-oxo-1H-quinolin-3-yl)-phenyl-methyl]-2-(dimethylamino)-N-(1-naphthyl)acetamide
CAS Name: N-[(6-bromo-2-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-(dimethylamino)-N-(1-naphthalenyl)acetamide
IUPAC NAME: N-[(6-bromo-2-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-(dimethylamino)-N-naphthalen-1-ylacetamide
SYSTEMATIC NAME: N-[(6-bromanyl-2-oxidanylidene-1H-quinolin-3-yl)-phenyl-methyl]-2-(dimethylamino)-N-naphthalen-1-yl-ethanamide
MOLECULAR FORMULA: C30H26BrN3O2
MOLECULAR WEIGHT: 540.45034
SMILES: CN(C)CC(=O)N(C1=CC=CC2=CC=CC=C21)C(C3=CC=CC=C3)C4=CC5=C(C=CC(=C5)Br)NC4=O
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Product OPENEYE NAME: N-[(6-bromo-2-methoxy-3-quinolyl)-phenyl-methyl]-N-[2-(dimethylamino)ethyl]benzamide
CAS Name: N-[(6-bromo-2-methoxy-3-quinolinyl)-phenylmethyl]-N-[2-(dimethylamino)ethyl]benzamide
IUPAC NAME: N-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-N-[2-(dimethylamino)ethyl]benzamide
SYSTEMATIC NAME: N-[(6-bromanyl-2-methoxy-quinolin-3-yl)-phenyl-methyl]-N-[2-(dimethylamino)ethyl]benzamide
MOLECULAR FORMULA: C28H28BrN3O2
MOLECULAR WEIGHT: 518.44482
SMILES: CN(C)CCN(C(C1=CC=CC=C1)C2=C(N=C3C=CC(=CC3=C2)Br)OC)C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(cyclopropylmethylamino)-N-[2-(2-isopropylpyrimidin-5-yl)-2-morpholino-ethyl]quinoline-5-carboxamide
CAS Name: 2-(cyclopropylmethylamino)-N-[2-(4-morpholinyl)-2-(2-propan-2-yl-5-pyrimidinyl)ethyl]-5-quinolinecarboxamide
IUPAC NAME: 2-(cyclopropylmethylamino)-N-[2-morpholin-4-yl-2-(2-propan-2-ylpyrimidin-5-yl)ethyl]quinoline-5-carboxamide
SYSTEMATIC NAME: 2-(cyclopropylmethylamino)-N-[2-morpholin-4-yl-2-(2-propan-2-ylpyrimidin-5-yl)ethyl]quinoline-5-carboxamide
MOLECULAR FORMULA: C27H34N6O2
MOLECULAR WEIGHT: 474.59786
SMILES: CC(C)C1=NC=C(C=N1)C(CNC(=O)C2=C3C=CC(=NC3=CC=C2)NCC4CC4)N5CCOCC5
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All Chemical Compounds Information

Product OPENEYE NAME: isopropyl (2S)-2-[[(4-chlorophenoxy)-[[(2R,3R,4R,5S)-5-(6,8-diamino-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
CAS Name: (2S)-2-[[(4-chlorophenoxy)-[[(2R,3R,4R,5S)-5-(6,8-diamino-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)-3,4-dihydroxy-4-methyl-2-oxolanyl]methoxy]phosphoryl]amino]propanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (2S)-2-[[(4-chlorophenoxy)-[[(2R,3R,4R,5S)-5-(6,8-diamino-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy]phosphoryl]amino]propanoate
SYSTEMATIC NAME: propan-2-yl (2S)-2-[[[(2R,3R,4R,5S)-5-[6,8-bis(azanyl)-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl]-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(4-chloranylphenoxy)phosphoryl]amino]propanoate
MOLECULAR FORMULA: C22H30ClN8O8P
MOLECULAR WEIGHT: 600.949161
SMILES: C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)C2=NN=C3N2N=C(N=C3N)N)(C)O)O)OC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[(4-phenoxyphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[(4-phenoxyphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[(4-phenoxyphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[(4-phenoxyphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C22H15Cl2N3O4
MOLECULAR WEIGHT: 456.2782
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=C4C=C(C(=O)C(=C4)Cl)Cl)ON3
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[(3,4-difluorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[(3,4-difluorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[(3,4-difluorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[3,4-bis(fluoranyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C16H9Cl2F2N3O3
MOLECULAR WEIGHT: 400.163766
SMILES: C1=CC(=C(C=C1CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2)F)F
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-(p-tolylmethyl)-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[(4-methylphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[(4-methylphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[(4-methylphenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C17H13Cl2N3O3
MOLECULAR WEIGHT: 378.20942
SMILES: CC1=CC=C(C=C1)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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Product OPENEYE NAME: N-[(2-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: N-[(2-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: N-[(2-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[(2-chlorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C16H10Cl3N3O3
MOLECULAR WEIGHT: 398.6279
SMILES: C1=CC=C(C(=C1)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2)Cl
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Product OPENEYE NAME: N-[(4-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-methyl-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: N-[(4-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-methyl-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: N-[(4-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-methyl-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[(4-chlorophenyl)methyl]-N-methyl-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C17H12Cl3N3O3
MOLECULAR WEIGHT: 412.65448
SMILES: CN(CC1=CC=C(C=C1)Cl)C(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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Product OPENEYE NAME: 5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-N-[(3,5-dichlorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: 5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-N-[(3,5-dichlorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: 5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-N-[(3,5-dichlorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[[3,5-bis(chloranyl)phenyl]methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C16H9Cl4N3O3
MOLECULAR WEIGHT: 433.07296
SMILES: C1=C(C=C(C=C1Cl)Cl)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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Product OPENEYE NAME: N-[(3-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2H-1,2,4-oxadiazole-3-carboxamide
CAS Name: N-[(3-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-2H-1,2,4-oxadiazole-3-carboxamide
IUPAC NAME: N-[(3-chlorophenyl)methyl]-5-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-2H-1,2,4-oxadiazole-3-carboxamide
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-N-[(3-chlorophenyl)methyl]-2H-1,2,4-oxadiazole-3-carboxamide
MOLECULAR FORMULA: C16H10Cl3N3O3
MOLECULAR WEIGHT: 398.6279
SMILES: C1=CC(=CC(=C1)Cl)CNC(=O)C2=NC(=C3C=C(C(=O)C(=C3)Cl)Cl)ON2
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Product OPENEYE NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)-N-methyl-benzamide
CAS Name: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-methylbenzamide
IUPAC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-methylbenzamide
SYSTEMATIC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-methyl-benzamide
MOLECULAR FORMULA: C22H21F2IN4O4S
MOLECULAR WEIGHT: 602.392816
SMILES: CNC(=O)C1=C(C=C(C=C1NC2=C(C=C(C=C2)I)F)F)OC3=CC=CC(=C3)NS(=O)(=O)N(C)C
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Product OPENEYE NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)-N-(2-hydroxyethyl)benzamide
CAS Name: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)benzamide
IUPAC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)benzamide
SYSTEMATIC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-(2-hydroxyethyl)benzamide
MOLECULAR FORMULA: C23H23F2IN4O5S
MOLECULAR WEIGHT: 632.418796
SMILES: CN(C)S(=O)(=O)NC1=CC(=CC=C1)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)NCCO
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Product OPENEYE NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)-N-(2-hydroxypropyl)benzamide
CAS Name: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-(2-hydroxypropyl)benzamide
IUPAC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-(2-hydroxypropyl)benzamide
SYSTEMATIC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-(2-oxidanylpropyl)benzamide
MOLECULAR FORMULA: C24H25F2IN4O5S
MOLECULAR WEIGHT: 646.445376
SMILES: CC(CNC(=O)C1=C(C=C(C=C1NC2=C(C=C(C=C2)I)F)F)OC3=CC=CC(=C3)NS(=O)(=O)N(C)C)O
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Product OPENEYE NAME: 5-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodo-anilino)phenoxy]-1-methyl-cyclohexa-2,4-diene-1,2-dicarboxylic acid
CAS Name: 5-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]-1-methylcyclohexa-2,4-diene-1,2-dicarboxylic acid
IUPAC NAME: 5-[2-carbamoyl-5-fluoro-3-(2-fluoro-4-iodoanilino)phenoxy]-1-methylcyclohexa-2,4-diene-1,2-dicarboxylic acid
SYSTEMATIC NAME: 5-[2-aminocarbonyl-5-fluoranyl-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]phenoxy]-1-methyl-cyclohexa-2,4-diene-1,2-dicarboxylic acid
MOLECULAR FORMULA: C22H17F2IN2O6
MOLECULAR WEIGHT: 570.281456
SMILES: CC1(CC(=CC=C1C(=O)O)OC2=C(C(=CC(=C2)F)NC3=C(C=C(C=C3)I)F)C(=O)N)C(=O)O
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Product OPENEYE NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodo-anilino)-N-[(1R)-2-hydroxy-1-methyl-ethyl]benzamide
CAS Name: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
IUPAC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoro-6-(2-fluoro-4-iodoanilino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
SYSTEMATIC NAME: 2-[3-(dimethylsulfamoylamino)phenoxy]-4-fluoranyl-6-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-[(2R)-1-oxidanylpropan-2-yl]benzamide
MOLECULAR FORMULA: C24H25F2IN4O5S
MOLECULAR WEIGHT: 646.445376
SMILES: C[C@H](CO)NC(=O)C1=C(C=C(C=C1NC2=C(C=C(C=C2)I)F)F)OC3=CC=CC(=C3)NS(=O)(=O)N(C)C
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Product OPENEYE NAME: 3-[5-[2-(3,5-dimethyl-4-phenyl-phenyl)ethoxy]isoindolin-2-yl]cyclobutanecarboxylic acid
CAS Name: 3-[5-[2-(3,5-dimethyl-4-phenylphenyl)ethoxy]-1,3-dihydroisoindol-2-yl]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[5-[2-(3,5-dimethyl-4-phenylphenyl)ethoxy]-1,3-dihydroisoindol-2-yl]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[5-[2-(3,5-dimethyl-4-phenyl-phenyl)ethoxy]-1,3-dihydroisoindol-2-yl]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C29H31NO3
MOLECULAR WEIGHT: 441.56134
SMILES: CC1=CC(=CC(=C1C2=CC=CC=C2)C)CCOC3=CC4=C(CN(C4)C5CC(C5)C(=O)O)C=C3
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Product OPENEYE NAME: 3-[[5-[5-(2-fluoro-5-methyl-4-phenyl-phenyl)-1,2,4-oxadiazol-3-yl]indan-1-yl]amino]cyclobutanecarboxylic acid
CAS Name: 3-[[5-[5-(2-fluoro-5-methyl-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[[5-[5-(2-fluoro-5-methyl-4-phenylphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[[5-[5-(2-fluoranyl-5-methyl-4-phenyl-phenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C29H26FN3O3
MOLECULAR WEIGHT: 483.533443
SMILES: CC1=C(C=C(C(=C1)C2=NC(=NO2)C3=CC4=C(C=C3)C(CC4)NC5CC(C5)C(=O)O)F)C6=CC=CC=C6
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Product OPENEYE NAME: 3-[[5-[5-[4-(2-cyanophenyl)-3-methyl-phenyl]-1,2,4-oxadiazol-3-yl]indan-1-yl]amino]cyclobutanecarboxylic acid
CAS Name: 3-[[5-[5-[4-(2-cyanophenyl)-3-methylphenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[[5-[5-[4-(2-cyanophenyl)-3-methylphenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[[5-[5-[4-(2-cyanophenyl)-3-methyl-phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C30H26N4O3
MOLECULAR WEIGHT: 490.55244
SMILES: CC1=C(C=CC(=C1)C2=NC(=NO2)C3=CC4=C(C=C3)C(CC4)NC5CC(C5)C(=O)O)C6=CC=CC=C6C#N
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Product OPENEYE NAME: 3-[[5-[5-[2-fluoro-5-methyl-4-(4-methyl-3-thienyl)phenyl]-1,2,4-oxadiazol-3-yl]indan-1-yl]amino]cyclobutanecarboxylic acid
CAS Name: 3-[[5-[5-[2-fluoro-5-methyl-4-(4-methyl-3-thiophenyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[[5-[5-[2-fluoro-5-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[[5-[5-[2-fluoranyl-5-methyl-4-(4-methylthiophen-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C28H26FN3O3S
MOLECULAR WEIGHT: 503.587743
SMILES: CC1=C(C=C(C(=C1)C2=NC(=NO2)C3=CC4=C(C=C3)C(CC4)NC5CC(C5)C(=O)O)F)C6=CSC=C6C
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Product OPENEYE NAME: 3-[[5-[5-[4-(3-furyl)-3,5-dimethyl-phenyl]-1,2,4-oxadiazol-3-yl]indan-1-yl]amino]cyclobutanecarboxylic acid
CAS Name: 3-[[5-[5-[4-(3-furanyl)-3,5-dimethylphenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]-1-cyclobutanecarboxylic acid
IUPAC NAME: 3-[[5-[5-[4-(furan-3-yl)-3,5-dimethylphenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[[5-[5-[4-(furan-3-yl)-3,5-dimethyl-phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]amino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C28H27N3O4
MOLECULAR WEIGHT: 469.53168
SMILES: CC1=CC(=CC(=C1C2=COC=C2)C)C3=NC(=NO3)C4=CC5=C(C=C4)C(CC5)NC6CC(C6)C(=O)O
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Product OPENEYE NAME: N-[[(2S)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]propan-1-amine
CAS Name: N-[[(2S)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]-1-propanamine
IUPAC NAME: N-[[(2S)-5-fluoro-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]propan-1-amine
SYSTEMATIC NAME: N-[[(2S)-5-fluoranyl-7-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]propan-1-amine
MOLECULAR FORMULA: C13H18FNO4S
MOLECULAR WEIGHT: 303.349723
SMILES: CCCNC[C@H]1COC2=C(C=C(C=C2O1)S(=O)(=O)C)F
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Product OPENEYE NAME: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine
CAS Name: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine
IUPAC NAME: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine
SYSTEMATIC NAME: N-[[(3S)-6-(trifluoromethylsulfonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethanamine
MOLECULAR FORMULA: C12H14F3NO4S
MOLECULAR WEIGHT: 325.30407
SMILES: CCNC[C@H]1COC2=C(O1)C=C(C=C2)S(=O)(=O)C(F)(F)F
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Product OPENEYE NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]prop-2-en-1-amine
CAS Name: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-2-propen-1-amine
IUPAC NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]prop-2-en-1-amine
SYSTEMATIC NAME: N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]prop-2-en-1-amine
MOLECULAR FORMULA: C13H17NO4S
MOLECULAR WEIGHT: 283.34338
SMILES: CS(=O)(=O)C1=CC2=C(C=C1)OCC(O2)CNCC=C
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Product OPENEYE NAME: N-ethyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
CAS Name: N-ethyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
IUPAC NAME: N-ethyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
SYSTEMATIC NAME: N-ethyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
MOLECULAR FORMULA: C14H21NO4S
MOLECULAR WEIGHT: 299.38584
SMILES: CCN(CC)CC1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 2-methoxy-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
CAS Name: 2-methoxy-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
IUPAC NAME: 2-methoxy-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
SYSTEMATIC NAME: 2-methoxy-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
MOLECULAR FORMULA: C13H19NO5S
MOLECULAR WEIGHT: 301.35866
SMILES: COCCNCC1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: N-methyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
CAS Name: N-methyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
IUPAC NAME: N-methyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
SYSTEMATIC NAME: N-methyl-N-[(6-methylsulfonyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]ethanamine
MOLECULAR FORMULA: C13H19NO4S
MOLECULAR WEIGHT: 285.35926
SMILES: CCN(C)CC1COC2=C(O1)C=C(C=C2)S(=O)(=O)C
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All Chemical Compounds Information

Product OPENEYE NAME: 2-hydroxyheptanoic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
CAS Name: 2-hydroxyheptanoic acid; (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; molybdenum
IUPAC NAME: 2-hydroxyheptanoic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
SYSTEMATIC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum; 2-oxidanylheptanoic acid
MOLECULAR FORMULA: C13H20MoN2O5
MOLECULAR WEIGHT: 380.2483
SMILES: CCCCCC(C(=O)O)O.C1=C(NC=N1)/C=C/C(=O)O.[Mo]
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Product OPENEYE NAME: (3S,4S,5S,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
CAS Name: (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; molybdenum
IUPAC NAME: (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
SYSTEMATIC NAME: (3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
MOLECULAR FORMULA: C12H18MoN2O8
MOLECULAR WEIGHT: 414.21992
SMILES: C1=C(NC=N1)/C=C/C(=O)O.C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O.[Mo]
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Product OPENEYE NAME: 2-hydroxynonadecane-1,2,3-tricarboxylic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
CAS Name: 2-hydroxynonadecane-1,2,3-tricarboxylic acid; (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; molybdenum
IUPAC NAME: 2-hydroxynonadecane-1,2,3-tricarboxylic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
SYSTEMATIC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum; 2-oxidanylnonadecane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C28H46Mo2N2O9
MOLECULAR WEIGHT: 746.55284
SMILES: CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O.C1=C(NC=N1)/C=C/C(=O)O.[Mo].[Mo]
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Product OPENEYE NAME: 2-hydroxybenzoic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
CAS Name: 2-hydroxybenzoic acid; (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; molybdenum
IUPAC NAME: 2-hydroxybenzoic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum
SYSTEMATIC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; molybdenum; 2-oxidanylbenzoic acid
MOLECULAR FORMULA: C13H12MoN2O5
MOLECULAR WEIGHT: 372.18478
SMILES: C1=CC=C(C(=C1)C(=O)O)O.C1=C(NC=N1)/C=C/C(=O)O.[Mo]
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Product OPENEYE NAME: manganous; 2,3-dihydroxybutanedioic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
CAS Name: 2,3-dihydroxybutanedioic acid; (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; manganese(2+)
IUPAC NAME: 2,3-dihydroxybutanedioic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; manganese(2+)
SYSTEMATIC NAME: 2,3-bis(oxidanyl)butanedioic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; manganese(2+)
MOLECULAR FORMULA: C10H12MnN2O8+2
MOLECULAR WEIGHT: 343.148929
SMILES: C1=C(NC=N1)/C=C/C(=O)O.C(C(C(=O)O)O)(C(=O)O)O.[Mn+2]
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Product OPENEYE NAME: manganous; citric acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; (E)-3-(1H-imidazol-5-yl)-2-propenoic acid; manganese(2+)
IUPAC NAME: 2-hydroxypropane-1,2,3-tricarboxylic acid; (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; manganese(2+)
SYSTEMATIC NAME: (E)-3-(1H-imidazol-5-yl)prop-2-enoic acid; manganese(2+); 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C12H14MnN2O9+2
MOLECULAR WEIGHT: 385.185609
SMILES: C1=C(NC=N1)/C=C/C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Mn+2]
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Product OPENEYE NAME: manganous; (3R,4R,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate
CAS Name: (3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-(4-imidazolylidene)-1-propene-1,1-diolate; manganese(2+)
IUPAC NAME: (3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate; manganese(2+)
SYSTEMATIC NAME: (3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3Z)-3-imidazol-4-ylideneprop-1-ene-1,1-diolate; manganese(2+)
MOLECULAR FORMULA: C12H16MnN2O8
MOLECULAR WEIGHT: 371.202089
SMILES: C\1=NC=N/C1=C\C=C([O-])[O-].C([C@@H]1[C@@H]([C@H]([C@H](C(O1)O)O)O)O)O.[Mn+2]
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Product OPENEYE NAME: 3,5-dideuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]oxazolidin-2-one
CAS Name: 3,5-dideuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-2-oxazolidinone
IUPAC NAME: 3,5-dideuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,5-dideuterio-5-[[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 232.32018
SMILES: [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])OCC2(CN(C(=O)O2)[2H])[2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 3,5-dideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]oxazolidin-2-one
CAS Name: 3,5-dideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3,5-dideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,5-dideuterio-5-[dideuterio-(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 225.277047
SMILES: [2H]C1(CN(C(=O)O1)[2H])C([2H])([2H])OC2=CC(=CC(=C2)C)C
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Product OPENEYE NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuterio-methyl]-3,5-dideuterio-oxazolidin-2-one
CAS Name: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuteriomethyl]-3,5-dideuterio-2-oxazolidinone
IUPAC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuteriomethyl]-3,5-dideuterio-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]-dideuterio-methyl]-3,5-dideuterio-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 231.314018
SMILES: [2H]C1(CN(C(=O)O1)[2H])C([2H])([2H])OC2=CC(=CC(=C2)C([2H])([2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 3,5-dideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]oxazolidin-2-one
CAS Name: 3,5-dideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3,5-dideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,5-dideuterio-5-[dideuterio-(2,4,6-trideuterio-3,5-dimethyl-phenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 228.295532
SMILES: [2H]C1=C(C(=C(C(=C1C)[2H])OC([2H])([2H])C2(CN(C(=O)O2)[2H])[2H])[2H])C
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Product OPENEYE NAME: 3,5-dideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]oxazolidin-2-one
CAS Name: 3,5-dideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-2-oxazolidinone
IUPAC NAME: 3,5-dideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,5-dideuterio-5-[dideuterio-[2,4,6-trideuterio-3,5-bis(trideuteriomethyl)phenoxy]methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 234.332503
SMILES: [2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])OC([2H])([2H])C2(CN(C(=O)O2)[2H])[2H])[2H])C([2H])([2H])[2H]
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Product OPENEYE NAME: 3,4,4-trideuterio-5-[(3,5-dimethylphenoxy)methyl]oxazolidin-2-one
CAS Name: 3,4,4-trideuterio-5-[(3,5-dimethylphenoxy)methyl]-2-oxazolidinone
IUPAC NAME: 3,4,4-trideuterio-5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3,4,4-trideuterio-5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 224.270885
SMILES: [2H]C1(C(OC(=O)N1[2H])COC2=CC(=CC(=C2)C)C)[2H]
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Product OPENEYE NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-3,4,4-trideuterio-oxazolidin-2-one
CAS Name: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-3,4,4-trideuterio-2-oxazolidinone
IUPAC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-3,4,4-trideuterio-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[[3,5-bis(trideuteriomethyl)phenoxy]methyl]-3,4,4-trideuterio-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C12H15NO3
MOLECULAR WEIGHT: 230.307856
SMILES: [2H]C1(C(OC(=O)N1[2H])COC2=CC(=CC(=C2)C([2H])([2H])[2H])C([2H])([2H])[2H])[2H]
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Product OPENEYE NAME: 4-[3-[2-[benzyl(methyl)amino]ethoxy]-1H-1,2,4-triazin-6-ylidene]-2,6-dichloro-cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[2-[methyl-(phenylmethyl)amino]ethoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 4-[3-[2-[benzyl(methyl)amino]ethoxy]-1H-1,2,4-triazin-6-ylidene]-2,6-dichlorocyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[2-[methyl-(phenylmethyl)amino]ethoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C19H18Cl2N4O2
MOLECULAR WEIGHT: 405.27782
SMILES: CN(CCOC1=NNC(=C2C=C(C(=O)C(=C2)Cl)Cl)C=N1)CC3=CC=CC=C3
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Product OPENEYE NAME: 4-[[6-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazin-3-yl]oxymethyl]benzaldehyde
CAS Name: 4-[[6-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazin-3-yl]oxymethyl]benzaldehyde
IUPAC NAME: 4-[[6-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazin-3-yl]oxymethyl]benzaldehyde
SYSTEMATIC NAME: 4-[[6-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1H-1,2,4-triazin-3-yl]oxymethyl]benzaldehyde
MOLECULAR FORMULA: C17H11Cl2N3O3
MOLECULAR WEIGHT: 376.19354
SMILES: C1=CC(=CC=C1COC2=NNC(=C3C=C(C(=O)C(=C3)Cl)Cl)C=N2)C=O
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[[4-[(4-phenyl-1-piperazinyl)methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C27H25Cl2N5O2
MOLECULAR WEIGHT: 522.4257
SMILES: C1CN(CCN1CC2=CC=C(C=C2)COC3=NNC(=C4C=C(C(=O)C(=C4)Cl)Cl)C=N3)C5=CC=CC=C5
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Product OPENEYE NAME: 2-[4-[[4-[[6-(3,5-dichloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazin-3-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]benzoic acid
CAS Name: 2-[4-[[4-[[6-(3,5-dichloro-4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazin-3-yl]oxymethyl]phenyl]methyl]-1-piperazinyl]benzoic acid
IUPAC NAME: 2-[4-[[4-[[6-(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazin-3-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]benzoic acid
SYSTEMATIC NAME: 2-[4-[[4-[[6-[3,5-bis(chloranyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]-1H-1,2,4-triazin-3-yl]oxymethyl]phenyl]methyl]piperazin-1-yl]benzoic acid
MOLECULAR FORMULA: C28H25Cl2N5O4
MOLECULAR WEIGHT: 566.4352
SMILES: C1CN(CCN1CC2=CC=C(C=C2)COC3=NNC(=C4C=C(C(=O)C(=C4)Cl)Cl)C=N3)C5=CC=CC=C5C(=O)O
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[3-[[2,4-bis(fluoranyl)phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]-2,6-bis(chloranyl)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C16H9Cl2F2N3O2
MOLECULAR WEIGHT: 384.164366
SMILES: C1=CC(=C(C=C1F)F)COC2=NNC(=C3C=C(C(=O)C(=C3)Cl)Cl)C=N2
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Product OPENEYE NAME: 2,6-dichloro-4-[3-[[4-[[methyl(1-naphthyl)amino]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
CAS Name: 2,6-dichloro-4-[3-[[4-[[methyl(1-naphthalenyl)amino]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: 2,6-dichloro-4-[3-[[4-[[methyl(naphthalen-1-yl)amino]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-[3-[[4-[[methyl(naphthalen-1-yl)amino]methyl]phenyl]methoxy]-1H-1,2,4-triazin-6-ylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C28H22Cl2N4O2
MOLECULAR WEIGHT: 517.40588
SMILES: CN(CC1=CC=C(C=C1)COC2=NNC(=C3C=C(C(=O)C(=C3)Cl)Cl)C=N2)C4=CC=CC5=CC=CC=C54
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Product OPENEYE NAME: 2-morpholinoethyl 5-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxo-pyrrolidin-2-yl]methoxy]thiophene-2-carboxylate
CAS Name: 5-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxo-2-pyrrolidinyl]methoxy]-2-thiophenecarboxylic acid 2-(4-morpholinyl)ethyl ester
IUPAC NAME: 2-morpholin-4-ylethyl 5-[[(2R)-1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxy]thiophene-2-carboxylate
SYSTEMATIC NAME: 2-morpholin-4-ylethyl 5-[[(2R)-1-[4-(1-oxidanylhexyl)phenyl]-5-oxidanylidene-pyrrolidin-2-yl]methoxy]thiophene-2-carboxylate
MOLECULAR FORMULA: C28H38N2O6S
MOLECULAR WEIGHT: 530.67612
SMILES: CCCCCC(C1=CC=C(C=C1)N2[C@H](CCC2=O)COC3=CC=C(S3)C(=O)OCCN4CCOCC4)O
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Product OPENEYE NAME: [(2R,3R,4R,5S)-5-(2-amino-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-N-[(1S)-2-isopropoxy-1-methyl-2-oxo-ethyl]phosphonamidic acid
CAS Name: [(2R,3R,4R,5S)-5-(2-amino-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyl-2-oxolanyl]methoxy-N-[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]phosphonamidic acid
IUPAC NAME: [(2R,3R,4R,5S)-5-(2-amino-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-N-[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]phosphonamidic acid
SYSTEMATIC NAME: [(2R,3R,4R,5S)-5-(2-azanyl-4-oxidanylidene-1H-imidazo[5,1-f][1,2,4]triazin-7-yl)-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-N-[(2S)-1-oxidanylidene-1-propan-2-yloxy-propan-2-yl]phosphonamidic acid
MOLECULAR FORMULA: C17H27N6O9P
MOLECULAR WEIGHT: 490.404841
SMILES: C[C@@H](C(=O)OC(C)C)NP(=O)(O)OC[C@@H]1[C@H]([C@@]([C@@H](O1)C2=NC=C3N2NC(=NC3=O)N)(C)O)O
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Product OPENEYE NAME: (2S,3R,4R,5R)-2-(4-aminoimidazo[5,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-3,4-diol
CAS Name: (2S,3R,4R,5R)-2-(4-amino-7-imidazo[5,1-f][1,2,4]triazinyl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
IUPAC NAME: (2S,3R,4R,5R)-2-(4-aminoimidazo[5,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4R,5R)-2-(4-azanylimidazo[5,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3-methyl-oxolane-3,4-diol
MOLECULAR FORMULA: C11H15N5O4
MOLECULAR WEIGHT: 281.2679
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1C2=NC=C3N2N=CN=C3N)CO)O)O
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Product OPENEYE NAME: isopropyl (2S)-2-[[[(2R,3R,4R,5S)-5-(6-amino-8-oxo-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)-3,4-dihydroxy-4-methyl-tetrahydrofuran-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate
CAS Name: (2S)-2-[[[(2R,3R,4R,5S)-5-(6-amino-8-oxo-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)-3,4-dihydroxy-4-methyl-2-oxolanyl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl (2S)-2-[[[(2R,3R,4R,5S)-5-(6-amino-8-oxo-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphoryl]amino]propanoate
SYSTEMATIC NAME: propan-2-yl (2S)-2-[[[(2R,3R,4R,5S)-5-(6-azanyl-8-oxidanylidene-5H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-3-yl)-4-methyl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(4-chloranylphenoxy)phosphoryl]amino]propanoate
MOLECULAR FORMULA: C22H29ClN7O9P
MOLECULAR WEIGHT: 601.933921
SMILES: C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)C2=NN=C3N2NC(=NC3=O)N)(C)O)O)OC4=CC=C(C=C4)Cl
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All Chemical Compounds Information

Product OPENEYE NAME: 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]benzamide
CAS Name: 4-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]benzamide
IUPAC NAME: 4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]benzamide
SYSTEMATIC NAME: 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]carbonyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]benzamide
MOLECULAR FORMULA: C32H34ClN5O2
MOLECULAR WEIGHT: 556.09766
SMILES: C1CN(CCC1NC(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)Cl)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: 4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]benzamide
CAS Name: 4-[[4-(4-chlorophenyl)-1-piperazinyl]-oxomethyl]-N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]benzamide
IUPAC NAME: 4-[4-(4-chlorophenyl)piperazine-1-carbonyl]-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]benzamide
SYSTEMATIC NAME: 4-[4-(4-chlorophenyl)piperazin-1-yl]carbonyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]benzamide
MOLECULAR FORMULA: C31H32ClN5O2
MOLECULAR WEIGHT: 542.07108
SMILES: C1CN(CCC1NC(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]benzamide
CAS Name: N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-4-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]benzamide
IUPAC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]benzamide
SYSTEMATIC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-benzamide
MOLECULAR FORMULA: C31H31F3N6O2
MOLECULAR WEIGHT: 576.61205
SMILES: C1CN(CCC1NC(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: [(E)-1-[3-(2-thienyl)phenyl]ethylideneamino] N-phenylcarbamate
CAS Name: N-phenylcarbamic acid [(E)-1-(3-thiophen-2-ylphenyl)ethylideneamino] ester
IUPAC NAME: [(E)-1-(3-thiophen-2-ylphenyl)ethylideneamino] N-phenylcarbamate
SYSTEMATIC NAME: [(E)-1-(3-thiophen-2-ylphenyl)ethylideneamino] N-phenylcarbamate
MOLECULAR FORMULA: C19H16N2O2S
MOLECULAR WEIGHT: 336.40754
SMILES: C/C(=N\OC(=O)NC1=CC=CC=C1)/C2=CC=CC(=C2)C3=CC=CS3
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Product OPENEYE NAME: 5-[3-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]propyl]thiophene-2-carboxylic acid
CAS Name: 5-[3-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]propyl]-2-thiophenecarboxylic acid
IUPAC NAME: 5-[3-[(1R,2R,3R,5R)-5-chloro-3-hydroxy-2-[3-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]propyl]thiophene-2-carboxylic acid
SYSTEMATIC NAME: 5-[3-[(1R,2R,3R,5R)-5-chloranyl-3-oxidanyl-2-[3-[3-(trifluoromethyl)phenyl]propyl]cyclopentyl]propyl]thiophene-2-carboxylic acid
MOLECULAR FORMULA: C23H26ClF3O3S
MOLECULAR WEIGHT: 474.96395
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]1Cl)CCCC2=CC=C(S2)C(=O)O)CCCC3=CC(=CC=C3)C(F)(F)F)O
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Product OPENEYE NAME: 5-(3,5-dichlorophenyl)-4-hydroxy-2-(1-methyl-1-phenyl-ethyl)-1H-pyrimidin-6-one
CAS Name: 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-phenylpropan-2-yl)-1H-pyrimidin-6-one
IUPAC NAME: 5-(3,5-dichlorophenyl)-4-hydroxy-2-(2-phenylpropan-2-yl)-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-[3,5-bis(chloranyl)phenyl]-4-oxidanyl-2-(2-phenylpropan-2-yl)-1H-pyrimidin-6-one
MOLECULAR FORMULA: C19H16Cl2N2O2
MOLECULAR WEIGHT: 375.24854
SMILES: CC(C)(C1=CC=CC=C1)C2=NC(=C(C(=O)N2)C3=CC(=CC(=C3)Cl)Cl)O
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Product OPENEYE NAME: (6aR,9R,10aR)-3-(1,1-dimethylheptyl)-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-2H-isochromeno[3,4-d]pyrimidin-1-one
CAS Name: (6aR,9R,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-2H-[2]benzopyrano[3,4-d]pyrimidin-1-one
IUPAC NAME: (6aR,9R,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-2H-isochromeno[3,4-d]pyrimidin-1-one
SYSTEMATIC NAME: (6aR,9R,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydro-2H-isochromeno[3,4-d]pyrimidin-1-one
MOLECULAR FORMULA: C23H38N2O2
MOLECULAR WEIGHT: 374.56002
SMILES: CCCCCCC(C)(C)C1=NC2=C([C@@H]3C[C@@H](CC[C@H]3C(O2)(C)C)C)C(=O)N1
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Product OPENEYE NAME: 3-(3,5-dichlorophenyl)-6-(1,1-dimethylheptyl)-2-hydroxy-1H-pyridin-4-one
CAS Name: 3-(3,5-dichlorophenyl)-2-hydroxy-6-(2-methyloctan-2-yl)-1H-pyridin-4-one
IUPAC NAME: 3-(3,5-dichlorophenyl)-2-hydroxy-6-(2-methyloctan-2-yl)-1H-pyridin-4-one
SYSTEMATIC NAME: 3-[3,5-bis(chloranyl)phenyl]-6-(2-methyloctan-2-yl)-2-oxidanyl-1H-pyridin-4-one
MOLECULAR FORMULA: C20H25Cl2NO2
MOLECULAR WEIGHT: 382.324
SMILES: CCCCCCC(C)(C)C1=CC(=O)C(=C(N1)O)C2=CC(=CC(=C2)Cl)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H44INO4
MOLECULAR WEIGHT: 609.57913
SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CC[N+]([C@@H]3CC6=C5C(=C(C=C6)O)O4)(C)CC7CC7)OC)(C(C)(C)C)O.[I-]
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H44NO4+
MOLECULAR WEIGHT: 482.67466
SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CC[N+]([C@@H]3CC6=C5C(=C(C=C6)O)O4)(C)CC7CC7)OC)(C(C)(C)C)O
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-(5-benzyltetrazol-2-yl)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(phenylmethyl)-2-tetrazolyl]oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-(5-benzyltetrazol-2-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(phenylmethyl)-1,2,3,4-tetrazol-2-yl]oxane-3,4,5-triol
MOLECULAR FORMULA: C14H18N4O5
MOLECULAR WEIGHT: 322.31652
SMILES: C1=CC=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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Product OPENEYE NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(3-methoxyphenyl)methyl]tetrazol-2-yl]tetrahydropyran-3,4,5-triol
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(3-methoxyphenyl)methyl]-2-tetrazolyl]oxane-3,4,5-triol
IUPAC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(3-methoxyphenyl)methyl]tetrazol-2-yl]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrazol-2-yl]oxane-3,4,5-triol
MOLECULAR FORMULA: C15H20N4O6
MOLECULAR WEIGHT: 352.3425
SMILES: COC1=CC=CC(=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethoxyphenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[(4-ethoxyphenyl)methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethoxyphenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethoxyphenyl)methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H22N4O6
MOLECULAR WEIGHT: 366.36908
SMILES: CCOC1=CC=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[(2-fluorophenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[(2-fluorophenyl)methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[(2-fluorophenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[(2-fluorophenyl)methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C14H17FN4O5
MOLECULAR WEIGHT: 340.306983
SMILES: C1=CC=C(C(=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)F
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-chlorophenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[(4-chlorophenyl)methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-chlorophenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-chlorophenyl)methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C14H17ClN4O5
MOLECULAR WEIGHT: 356.76158
SMILES: C1=CC(=CC=C1CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl
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Product OPENEYE NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-(p-tolylmethyl)tetrazol-2-yl]tetrahydropyran-3,4,5-triol
CAS Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-methylphenyl)methyl]-2-tetrazolyl]oxane-3,4,5-triol
IUPAC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-methylphenyl)methyl]tetrazol-2-yl]oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[5-[(4-methylphenyl)methyl]-1,2,3,4-tetrazol-2-yl]oxane-3,4,5-triol
MOLECULAR FORMULA: C15H20N4O5
MOLECULAR WEIGHT: 336.3431
SMILES: CC1=CC=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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Product OPENEYE NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethylphenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
CAS Name: (2R,3R,4S,5S,6R)-2-[5-[(4-ethylphenyl)methyl]-2-tetrazolyl]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethylphenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5S,6R)-2-[5-[(4-ethylphenyl)methyl]-1,2,3,4-tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C16H22N4O5
MOLECULAR WEIGHT: 350.36968
SMILES: CCC1=CC=C(C=C1)CC2=NN(N=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
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All Chemical Compounds Information

Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H40BrN5O6S2
MOLECULAR WEIGHT: 770.756
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NCC4=CC=CC=C4)OC5=NC6=C(S5)C=C(C=C6)Br)C(=O)NS(=O)(=O)C7CC7
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C36H43N5O7S2
MOLECULAR WEIGHT: 721.88592
SMILES: COC1=CC2=C(C=C1)N=C(S2)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NCC6=CC=CC=C6)C(=O)NS(=O)(=O)C7CC7
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H40FN5O6S2
MOLECULAR WEIGHT: 709.850403
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NCC4=CC=CC=C4)OC5=NC6=C(S5)C=C(C=C6)F)C(=O)NS(=O)(=O)C7CC7
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H40ClN5O6S2
MOLECULAR WEIGHT: 726.305
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NCC4=CC=CC=C4)OC5=NC6=C(S5)C=C(C=C6)Cl)C(=O)NS(=O)(=O)C7CC7
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Product OPENEYE NAME: 1-(4-fluorophenyl)-N-[(2-oxo-1H-pyridin-4-yl)methyl]indazole-4-carboxamide
CAS Name: 1-(4-fluorophenyl)-N-[(2-oxo-1H-pyridin-4-yl)methyl]-4-indazolecarboxamide
IUPAC NAME: 1-(4-fluorophenyl)-N-[(2-oxo-1H-pyridin-4-yl)methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-[(2-oxidanylidene-1H-pyridin-4-yl)methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C20H15FN4O2
MOLECULAR WEIGHT: 362.357103
SMILES: C1=CC(=C2C=NN(C2=C1)C3=CC=C(C=C3)F)C(=O)NCC4=CC(=O)NC=C4
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Product OPENEYE NAME: N-[(2-chloro-4-cyano-phenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[(2-chloro-4-cyanophenyl)methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[(2-chloro-4-cyanophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[(2-chloranyl-4-cyano-phenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C22H14ClFN4O
MOLECULAR WEIGHT: 404.824163
SMILES: C1=CC(=C2C=NN(C2=C1)C3=CC=C(C=C3)F)C(=O)NCC4=C(C=C(C=C4)C#N)Cl
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Product OPENEYE NAME: N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[(4-cyanophenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C22H15FN4O
MOLECULAR WEIGHT: 370.379103
SMILES: C1=CC(=C2C=NN(C2=C1)C3=CC=C(C=C3)F)C(=O)NCC4=CC=C(C=C4)C#N
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Product OPENEYE NAME: N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[[2-fluoro-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[[2-fluoranyl-4-(methylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C22H18F2N4O3S
MOLECULAR WEIGHT: 456.465126
SMILES: CNS(=O)(=O)C1=CC(=C(C=C1)CNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F)F
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Product OPENEYE NAME: N-[(6-bromo-3-pyridyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
CAS Name: N-[(6-bromo-3-pyridinyl)methyl]-1-(4-fluorophenyl)-4-indazolecarboxamide
IUPAC NAME: N-[(6-bromopyridin-3-yl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
SYSTEMATIC NAME: N-[(6-bromanylpyridin-3-yl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide
MOLECULAR FORMULA: C20H14BrFN4O
MOLECULAR WEIGHT: 425.253763
SMILES: C1=CC(=C2C=NN(C2=C1)C3=CC=C(C=C3)F)C(=O)NCC4=CN=C(C=C4)Br
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Product OPENEYE NAME: methyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]pyridine-2-carboxylate
CAS Name: 4-[[[[1-(4-fluorophenyl)-4-indazolyl]-oxomethyl]amino]methyl]-2-pyridinecarboxylic acid methyl ester
IUPAC NAME: methyl 4-[[[1-(4-fluorophenyl)indazole-4-carbonyl]amino]methyl]pyridine-2-carboxylate
SYSTEMATIC NAME: methyl 4-[[[1-(4-fluorophenyl)indazol-4-yl]carbonylamino]methyl]pyridine-2-carboxylate
MOLECULAR FORMULA: C22H17FN4O3
MOLECULAR WEIGHT: 404.393783
SMILES: COC(=O)C1=NC=CC(=C1)CNC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F
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Product OPENEYE NAME: (3S)-3'-[3-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CAS Name: (3S)-3'-[3-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]-2-spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]one
IUPAC NAME: (3S)-3'-[3-[(8R)-8-(3,5-difluorophenyl)-8-methyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
SYSTEMATIC NAME: (3S)-3'-[3-[(8R)-8-[3,5-bis(fluoranyl)phenyl]-8-methyl-6-oxidanylidene-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
MOLECULAR FORMULA: C32H29F2N5O2
MOLECULAR WEIGHT: 553.601766
SMILES: C[C@]1(CNC2(CCCC2)C(=O)N1CC#CC3=CC4=C(C[C@@]5(C4)C6=C(NC5=O)N=CC=C6)N=C3)C7=CC(=CC(=C7)F)F
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Product OPENEYE NAME: (3S)-3'-[3-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CAS Name: (3S)-3'-[3-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]-2-spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]one
IUPAC NAME: (3S)-3'-[3-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
SYSTEMATIC NAME: (3S)-3'-[3-[(8R)-8-[3,5-bis(fluoranyl)phenyl]-8,10-dimethyl-6-oxidanylidene-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
MOLECULAR FORMULA: C33H31F2N5O2
MOLECULAR WEIGHT: 567.628346
SMILES: C[C@]1(CN(C2(CCCC2)C(=O)N1CC#CC3=CC4=C(C[C@@]5(C4)C6=C(NC5=O)N=CC=C6)N=C3)C)C7=CC(=CC(=C7)F)F
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Product OPENEYE NAME: (3S)-3'-[3-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxo-piperazin-1-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CAS Name: (3S)-3'-[3-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxo-1-piperazinyl]prop-1-ynyl]-2-spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]one
IUPAC NAME: (3S)-3'-[3-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxopiperazin-1-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
SYSTEMATIC NAME: (3S)-3'-[3-[(2R)-2-[3,5-bis(fluoranyl)phenyl]-2,4,5,5-tetramethyl-6-oxidanylidene-piperazin-1-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
MOLECULAR FORMULA: C31H29F2N5O2
MOLECULAR WEIGHT: 541.591066
SMILES: C[C@]1(CN(C(C(=O)N1CC#CC2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)N=C2)(C)C)C)C6=CC(=CC(=C6)F)F
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Product OPENEYE NAME: (3R)-5'-[(E)-3-(16-oxo-6,15-diazadispiro[4.2.6^{8}.2^{5}]hexadecan-15-yl)prop-1-enyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[(E)-3-(16-oxo-6,15-diazadispiro[4.2.6^{8}.2^{5}]hexadecan-15-yl)prop-1-enyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[(E)-3-(16-oxo-6,15-diazadispiro[4.2.6^{8}.2^{5}]hexadecan-15-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[(E)-3-(16-oxidanylidene-6,15-diazadispiro[4.2.6^{8}.2^{5}]hexadecan-15-yl)prop-1-enyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C32H38N4O2
MOLECULAR WEIGHT: 510.66972
SMILES: C1CCCC2(CC1)CNC3(CCCC3)C(=O)N2C/C=C/C4=CC5=C(C[C@@]6(C5)C7=C(NC6=O)N=CC=C7)C=C4
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Product OPENEYE NAME: [[(1R,3R)-3-hydroxy-1-isopropyl-3-[4-(methylcarbamoyl)thiazol-2-yl]propyl]-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]methyl 3-methylbutanoate
CAS Name: 3-methylbutanoic acid [[(1R,3R)-1-hydroxy-4-methyl-1-[4-(methylcarbamoyl)-2-thiazolyl]pentan-3-yl]-[(2S,3S)-3-methyl-2-[[[(2R)-1-methyl-2-piperidinyl]-oxomethyl]amino]-1-oxopentyl]amino]methyl ester
IUPAC NAME: [[(1R,3R)-1-hydroxy-4-methyl-1-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]pentan-3-yl]-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]methyl 3-methylbutanoate
SYSTEMATIC NAME: [[(1R,3R)-4-methyl-1-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]-1-oxidanyl-pentan-3-yl]-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]methyl 3-methylbutanoate
MOLECULAR FORMULA: C30H51N5O6S
MOLECULAR WEIGHT: 609.82084
SMILES: CC[C@H](C)[C@@H](C(=O)N(COC(=O)CC(C)C)[C@H](C[C@H](C1=NC(=CS1)C(=O)NC)O)C(C)C)NC(=O)[C@H]2CCCCN2C
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Product OPENEYE NAME: 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methyl-pentanoyl]-(3-methylbutanoyloxymethyl)amino]-1-hydroxy-4-methyl-pentyl]thiazole-4-carboxylic acid
CAS Name: 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methyl-1-oxopentyl]-[(3-methyl-1-oxobutoxy)methyl]amino]-1-hydroxy-4-methylpentyl]-4-thiazolecarboxylic acid
IUPAC NAME: 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-(3-methylbutanoyloxymethyl)amino]-1-hydroxy-4-methylpentyl]-1,3-thiazole-4-carboxylic acid
SYSTEMATIC NAME: 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methyl-pentanoyl]-(3-methylbutanoyloxymethyl)amino]-4-methyl-1-oxidanyl-pentyl]-1,3-thiazole-4-carboxylic acid
MOLECULAR FORMULA: C22H35N5O6S
MOLECULAR WEIGHT: 497.6082
SMILES: CC[C@H](C)[C@@H](C(=O)N(COC(=O)CC(C)C)[C@H](C[C@H](C1=NC(=CS1)C(=O)O)O)C(C)C)N=[N+]=[N-]
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Product OPENEYE NAME: methyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methyl-pentanoyl]-methyl-amino]-4-methyl-1-triethylsilyloxy-pentyl]thiazole-4-carboxylate
CAS Name: 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methyl-1-oxopentyl]-methylamino]-4-methyl-1-triethylsilyloxypentyl]-4-thiazolecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methylpentanoyl]-methylamino]-4-methyl-1-triethylsilyloxypentyl]-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: methyl 2-[(1R,3R)-3-[[(2S,3S)-2-azido-3-methyl-pentanoyl]-methyl-amino]-4-methyl-1-triethylsilyloxy-pentyl]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C24H43N5O4SSi
MOLECULAR WEIGHT: 525.77982
SMILES: CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C[C@H](C1=NC(=CS1)C(=O)OC)O[Si](CC)(CC)CC)C(C)C)N=[N+]=[N-]
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Product OPENEYE NAME: methyl 2-[(1R,3R)-1-hydroxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]thiazole-4-carboxylate
CAS Name: 2-[(1R,3R)-1-hydroxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[[(2R)-1-methyl-2-piperidinyl]-oxomethyl]amino]-1-oxopentyl]amino]pentyl]-4-thiazolecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(1R,3R)-1-hydroxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: methyl 2-[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C25H42N4O5S
MOLECULAR WEIGHT: 510.68978
SMILES: CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C[C@H](C1=NC(=CS1)C(=O)OC)O)C(C)C)NC(=O)[C@H]2CCCCN2C
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Product OPENEYE NAME: 2-[(1R,3R)-1-hydroxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-N-methyl-thiazole-4-carboxamide
CAS Name: 2-[(1R,3R)-1-hydroxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[[(2R)-1-methyl-2-piperidinyl]-oxomethyl]amino]-1-oxopentyl]amino]pentyl]-N-methyl-4-thiazolecarboxamide
IUPAC NAME: 2-[(1R,3R)-1-hydroxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: N-methyl-2-[(1R,3R)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C25H43N5O4S
MOLECULAR WEIGHT: 509.70502
SMILES: CC[C@H](C)[C@@H](C(=O)N(C)[C@H](C[C@H](C1=NC(=CS1)C(=O)NC)O)C(C)C)NC(=O)[C@H]2CCCCN2C
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Product OPENEYE NAME: tert-butyl 4-[5-[[1-[(4-cyanophenyl)methyl]-4-piperidyl]carbamoyl]thiazol-2-yl]oxypiperidine-1-carboxylate
CAS Name: 4-[[5-[[[1-[(4-cyanophenyl)methyl]-4-piperidinyl]amino]-oxomethyl]-2-thiazolyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[[5-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-1,3-thiazol-2-yl]oxy]piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[[5-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]-1,3-thiazol-2-yl]oxy]piperidine-1-carboxylate
MOLECULAR FORMULA: C27H35N5O4S
MOLECULAR WEIGHT: 525.6629
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=C(S2)C(=O)NC3CCN(CC3)CC4=CC=C(C=C4)C#N
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Product OPENEYE NAME: N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-4-[1-[(4-ethoxyphenyl)methyl]piperidine-4-carbonyl]benzamide
CAS Name: N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-4-[[1-[(4-ethoxyphenyl)methyl]-4-piperidinyl]-oxomethyl]benzamide
IUPAC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-[1-[(4-ethoxyphenyl)methyl]piperidine-4-carbonyl]benzamide
SYSTEMATIC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-4-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]carbonyl-benzamide
MOLECULAR FORMULA: C35H40N4O3
MOLECULAR WEIGHT: 564.7171
SMILES: CCOC1=CC=C(C=C1)CN2CCC(CC2)C(=O)C3=CC=C(C=C3)C(=O)NC4CCN(CC4)CC5=CC=C(C=C5)C#N
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