Monday, May 6, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CAS Name: N-[2-(1-cyclohexenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
IUPAC NAME: N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SYSTEMATIC NAME: N-[2-(cyclohexen-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
MOLECULAR FORMULA: C16H22N2OS
MOLECULAR WEIGHT: 290.42368
SMILES: C1CCC(=CC1)CCNC(=O)N2CCC3=C(C2)C=CS3
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Product OPENEYE NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide
CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)-1-piperidinecarboxamide
IUPAC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide
SYSTEMATIC NAME: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-hydroxyphenyl)piperidine-1-carboxamide
MOLECULAR FORMULA: C22H28N2O4
MOLECULAR WEIGHT: 384.46872
SMILES: COC1=C(C=C(C=C1)CCNC(=O)N2CCC(CC2)C3=CC=C(C=C3)O)OC
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Product OPENEYE NAME: N-[2-(4-isopropylphenyl)ethyl]-4-pyrazin-2-yl-piperazine-1-carboxamide
CAS Name: N-[2-(4-propan-2-ylphenyl)ethyl]-4-(2-pyrazinyl)-1-piperazinecarboxamide
IUPAC NAME: N-[2-(4-propan-2-ylphenyl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SYSTEMATIC NAME: N-[2-(4-propan-2-ylphenyl)ethyl]-4-pyrazin-2-yl-piperazine-1-carboxamide
MOLECULAR FORMULA: C20H27N5O
MOLECULAR WEIGHT: 353.46128
SMILES: CC(C)C1=CC=C(C=C1)CCNC(=O)N2CCN(CC2)C3=NC=CN=C3
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Product OPENEYE NAME: 4-benzoyl-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide
CAS Name: 4-benzoyl-N-[(1-ethyl-2-benzimidazolyl)methyl]-1-piperidinecarboxamide
IUPAC NAME: 4-benzoyl-N-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-1-carboxamide
SYSTEMATIC NAME: N-[(1-ethylbenzimidazol-2-yl)methyl]-4-(phenylcarbonyl)piperidine-1-carboxamide
MOLECULAR FORMULA: C23H26N4O2
MOLECULAR WEIGHT: 390.47814
SMILES: CCN1C2=CC=CC=C2N=C1CNC(=O)N3CCC(CC3)C(=O)C4=CC=CC=C4
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Product OPENEYE NAME: N-(2-furylmethyl)-N'-[2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]oxamide
CAS Name: N-(2-furanylmethyl)-N'-[2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]oxamide
IUPAC NAME: N-(furan-2-ylmethyl)-N'-[2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]oxamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-N'-[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]ethanediamide
MOLECULAR FORMULA: C21H26N4O6S
MOLECULAR WEIGHT: 462.51934
SMILES: CC1=C(C=C(C=C1)NC(=O)CNC(=O)C(=O)NCC2=CC=CO2)S(=O)(=O)N3CCCCC3
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Product OPENEYE NAME: 3-(1,3-benzodioxol-5-yl)-2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]quinazolin-4-one
CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-4-quinazolinone
IUPAC NAME: 3-(1,3-benzodioxol-5-yl)-2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]quinazolin-4-one
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yl)-2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]quinazolin-4-one
MOLECULAR FORMULA: C24H20ClN3O3
MOLECULAR WEIGHT: 433.8869
SMILES: C[C@H](C1=CC(=CC=C1)Cl)NCC2=NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5
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Product OPENEYE NAME: 3-(1,3-benzodioxol-5-yl)-2-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]quinazolin-4-one
CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]-4-quinazolinone
IUPAC NAME: 3-(1,3-benzodioxol-5-yl)-2-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]quinazolin-4-one
SYSTEMATIC NAME: 3-(1,3-benzodioxol-5-yl)-2-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]quinazolin-4-one
MOLECULAR FORMULA: C24H20ClN3O3
MOLECULAR WEIGHT: 433.8869
SMILES: C[C@@H](C1=CC(=CC=C1)Cl)NCC2=NC3=CC=CC=C3C(=O)N2C4=CC5=C(C=C4)OCO5
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Product OPENEYE NAME: 2-[(3-chlorophenyl)methylsulfanylmethyl]-1H-quinazolin-4-one
CAS Name: 2-[[(3-chlorophenyl)methylthio]methyl]-1H-quinazolin-4-one
IUPAC NAME: 2-[(3-chlorophenyl)methylsulfanylmethyl]-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-[(3-chlorophenyl)methylsulfanylmethyl]-1H-quinazolin-4-one
MOLECULAR FORMULA: C16H13ClN2OS
MOLECULAR WEIGHT: 316.80522
SMILES: C1=CC=C2C(=C1)C(=O)N=C(N2)CSCC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 2-cyclobutyl-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole
CAS Name: 2-cyclobutyl-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole
IUPAC NAME: 2-cyclobutyl-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-cyclobutyl-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C16H16N4O2
MOLECULAR WEIGHT: 296.32384
SMILES: COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(O3)C4CCC4
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Product OPENEYE NAME: 6-[5-[(1R)-1-(4-nitrophenyl)sulfanylethyl]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: 6-[5-[(1R)-1-[(4-nitrophenyl)thio]ethyl]-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: 6-[5-[(1R)-1-(4-nitrophenyl)sulfanylethyl]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[5-[(1R)-1-(4-nitrophenyl)sulfanylethyl]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H13N3O4S
MOLECULAR WEIGHT: 343.35712
SMILES: C[C@H](C1=NNC(=C2C=CC=CC2=O)O1)SC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 6-[5-[(1S)-1-(4-nitrophenyl)sulfanylethyl]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
CAS Name: 6-[5-[(1S)-1-[(4-nitrophenyl)thio]ethyl]-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,4-dienone
IUPAC NAME: 6-[5-[(1S)-1-(4-nitrophenyl)sulfanylethyl]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[5-[(1S)-1-(4-nitrophenyl)sulfanylethyl]-3H-1,3,4-oxadiazol-2-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C16H13N3O4S
MOLECULAR WEIGHT: 343.35712
SMILES: C[C@@H](C1=NNC(=C2C=CC=CC2=O)O1)SC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: N-[[2-(2-oxo-3-pyridylidene)-3H-1,3,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CAS Name: N-[[2-(2-oxo-3-pyridinylidene)-3H-1,3,4-oxadiazol-5-yl]methyl]benzenesulfonamide
IUPAC NAME: N-[[2-(2-oxopyridin-3-ylidene)-3H-1,3,4-oxadiazol-5-yl]methyl]benzenesulfonamide
SYSTEMATIC NAME: N-[[2-(2-oxidanylidenepyridin-3-ylidene)-3H-1,3,4-oxadiazol-5-yl]methyl]benzenesulfonamide
MOLECULAR FORMULA: C14H12N4O4S
MOLECULAR WEIGHT: 332.33448
SMILES: C1=CC=C(C=C1)S(=O)(=O)NCC2=NNC(=C3C=CC=NC3=O)O2
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Product OPENEYE NAME: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]-N-ethyl-oxamide
CAS Name: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-N-ethyloxamide
IUPAC NAME: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-N-ethyloxamide
SYSTEMATIC NAME: N'-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]-N-ethyl-ethanediamide
MOLECULAR FORMULA: C15H19N3O5
MOLECULAR WEIGHT: 321.32846
SMILES: CCNC(=O)C(=O)NCC(=O)NC1=CC2=C(C=C1)OCCCO2
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Product OPENEYE NAME: N-[2-[2-(furan-2-carbonyl)hydrazino]-2-oxo-ethyl]-3-methyl-N-propyl-benzofuran-2-carboxamide
CAS Name: N-[2-[[2-furanyl(oxo)methyl]hydrazo]-2-oxoethyl]-3-methyl-N-propyl-2-benzofurancarboxamide
IUPAC NAME: N-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-3-methyl-N-propyl-1-benzofuran-2-carboxamide
SYSTEMATIC NAME: N-[2-[2-(furan-2-ylcarbonyl)hydrazinyl]-2-oxidanylidene-ethyl]-3-methyl-N-propyl-1-benzofuran-2-carboxamide
MOLECULAR FORMULA: C20H21N3O5
MOLECULAR WEIGHT: 383.39784
SMILES: CCCN(CC(=O)NNC(=O)C1=CC=CO1)C(=O)C2=C(C3=CC=CC=C3O2)C
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Product OPENEYE NAME: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanylmethyl]-1H-quinazolin-4-one
CAS Name: 2-[[(2-chloro-6-fluorophenyl)methylthio]methyl]-1H-quinazolin-4-one
IUPAC NAME: 2-[(2-chloro-6-fluorophenyl)methylsulfanylmethyl]-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanylmethyl]-1H-quinazolin-4-one
MOLECULAR FORMULA: C16H12ClFN2OS
MOLECULAR WEIGHT: 334.795683
SMILES: C1=CC=C2C(=C1)C(=O)N=C(N2)CSCC3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: 2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfanylmethyl]-1H-quinazolin-4-one
CAS Name: 2-[[[(1R)-1-(2-chlorophenyl)ethyl]thio]methyl]-1H-quinazolin-4-one
IUPAC NAME: 2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfanylmethyl]-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-[[(1R)-1-(2-chlorophenyl)ethyl]sulfanylmethyl]-1H-quinazolin-4-one
MOLECULAR FORMULA: C17H15ClN2OS
MOLECULAR WEIGHT: 330.8318
SMILES: C[C@H](C1=CC=CC=C1Cl)SCC2=NC(=O)C3=CC=CC=C3N2
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Product OPENEYE NAME: 2-[[(1S)-1-(2-chlorophenyl)ethyl]sulfanylmethyl]-1H-quinazolin-4-one
CAS Name: 2-[[[(1S)-1-(2-chlorophenyl)ethyl]thio]methyl]-1H-quinazolin-4-one
IUPAC NAME: 2-[[(1S)-1-(2-chlorophenyl)ethyl]sulfanylmethyl]-1H-quinazolin-4-one
SYSTEMATIC NAME: 2-[[(1S)-1-(2-chlorophenyl)ethyl]sulfanylmethyl]-1H-quinazolin-4-one
MOLECULAR FORMULA: C17H15ClN2OS
MOLECULAR WEIGHT: 330.8318
SMILES: C[C@@H](C1=CC=CC=C1Cl)SCC2=NC(=O)C3=CC=CC=C3N2
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Product OPENEYE NAME: N'-[2-[[(S)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl]-N-methyl-oxamide
CAS Name: N'-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-methyloxamide
IUPAC NAME: N'-[2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-N-methyloxamide
SYSTEMATIC NAME: N'-[2-[[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]-N-methyl-ethanediamide
MOLECULAR FORMULA: C16H16FN3O3S
MOLECULAR WEIGHT: 349.379943
SMILES: CNC(=O)C(=O)NCC(=O)N[C@@H](C1=CC=C(C=C1)F)C2=CC=CS2
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