Sunday, May 19, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 2-[[(Z)-(2,5-dimethoxyphenyl)methyleneamino]oxymethyl]furan-3-carboxylate
CAS Name: 2-[[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate
MOLECULAR FORMULA: C16H17NO6
MOLECULAR WEIGHT: 319.30928
SMILES: COC1=CC(=C(C=C1)OC)/C=N\OCC2=C(C=CO2)C(=O)OC
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Product OPENEYE NAME: 1-[4-[[4-(4-fluorophenyl)-3-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-2-morpholino-ethanone
CAS Name: 1-[4-[[4-(4-fluorophenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-2-(4-morpholinyl)ethanone
IUPAC NAME: 1-[4-[[4-(4-fluorophenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SYSTEMATIC NAME: 1-[4-[[4-(4-fluorophenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-2-morpholin-4-yl-ethanone
MOLECULAR FORMULA: C25H29FN6O2S
MOLECULAR WEIGHT: 496.600163
SMILES: C1CN(CCN1CN2C(=S)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)F)C(=O)CN5CCOCC5
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Product OPENEYE NAME: 6-[[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]methyl]-1,3-dimethyl-pyrimidine-2,4-dione
CAS Name: 6-[[2-(2-benzotriazolyl)-4-(2-hydroxyethyl)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione
IUPAC NAME: 6-[[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]methyl]-1,3-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 6-[[2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenoxy]methyl]-1,3-dimethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C21H21N5O4
MOLECULAR WEIGHT: 407.42254
SMILES: CN1C(=CC(=O)N(C1=O)C)COC2=C(C=C(C=C2)CCO)N3N=C4C=CC=CC4=N3
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Product OPENEYE NAME: methyl 2-[[(1S)-7-fluoro-1-methyl-3-oxo-indan-4-yl]oxymethyl]furan-3-carboxylate
CAS Name: 2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxymethyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[(1S)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxymethyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[(1S)-7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl]oxymethyl]furan-3-carboxylate
MOLECULAR FORMULA: C17H15FO5
MOLECULAR WEIGHT: 318.296403
SMILES: C[C@H]1CC(=O)C2=C(C=CC(=C12)F)OCC3=C(C=CO3)C(=O)OC
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Product OPENEYE NAME: methyl 2-[[(1R)-7-fluoro-1-methyl-3-oxo-indan-4-yl]oxymethyl]furan-3-carboxylate
CAS Name: 2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxymethyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[(1R)-7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl]oxymethyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[(1R)-7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl]oxymethyl]furan-3-carboxylate
MOLECULAR FORMULA: C17H15FO5
MOLECULAR WEIGHT: 318.296403
SMILES: C[C@@H]1CC(=O)C2=C(C=CC(=C12)F)OCC3=C(C=CO3)C(=O)OC
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Product OPENEYE NAME: methyl 2-[[(Z)-[2-(2-chloroanilino)-2-oxo-ethylidene]amino]oxymethyl]furan-3-carboxylate
CAS Name: 2-[[(Z)-[2-(2-chloroanilino)-2-oxoethylidene]amino]oxymethyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[(Z)-[2-(2-chloroanilino)-2-oxoethylidene]amino]oxymethyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[(Z)-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethylidene]amino]oxymethyl]furan-3-carboxylate
MOLECULAR FORMULA: C15H13ClN2O5
MOLECULAR WEIGHT: 336.72712
SMILES: COC(=O)C1=C(OC=C1)CO/N=C\C(=O)NC2=CC=CC=C2Cl
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Product OPENEYE NAME: 4,5-dicyclopropyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione
CAS Name: 4,5-dicyclopropyl-2-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione
IUPAC NAME: 4,5-dicyclopropyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 4,5-dicyclopropyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C17H24N7S+
MOLECULAR WEIGHT: 358.48436
SMILES: C1CC1C2=NN(C(=S)N2C3CC3)C[NH+]4CCN(CC4)C5=NC=CN=C5
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Product OPENEYE NAME: methyl 2-[[(Z)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]furan-3-carboxylate
CAS Name: 2-[[(Z)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[(Z)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[(Z)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]furan-3-carboxylate
MOLECULAR FORMULA: C17H18N2O5
MOLECULAR WEIGHT: 330.33522
SMILES: C/C(=N/OCC1=C(C=CO1)C(=O)OC)/C2=CC=C(C=C2)NC(=O)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H29N5OS
MOLECULAR WEIGHT: 399.55286
SMILES: CC1=NC(=C2C3=C(CCCCC3)SC2=N1)N4CCN(CC4)C(=O)N5CCCC5
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Product OPENEYE NAME: N-[[5-(4-chlorophenyl)oxazol-2-yl]methyl]-N-(3-cyanophenyl)methanesulfonamide
CAS Name: N-[[5-(4-chlorophenyl)-2-oxazolyl]methyl]-N-(3-cyanophenyl)methanesulfonamide
IUPAC NAME: N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-(3-cyanophenyl)methanesulfonamide
SYSTEMATIC NAME: N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-(3-cyanophenyl)methanesulfonamide
MOLECULAR FORMULA: C18H14ClN3O3S
MOLECULAR WEIGHT: 387.84006
SMILES: CS(=O)(=O)N(CC1=NC=C(O1)C2=CC=C(C=C2)Cl)C3=CC=CC(=C3)C#N
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Product OPENEYE NAME: N-(3-cyanophenyl)-N-[(4-isopropylphenyl)methyl]methanesulfonamide
CAS Name: N-(3-cyanophenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide
IUPAC NAME: N-(3-cyanophenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide
SYSTEMATIC NAME: N-(3-cyanophenyl)-N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide
MOLECULAR FORMULA: C18H20N2O2S
MOLECULAR WEIGHT: 328.4286
SMILES: CC(C)C1=CC=C(C=C1)CN(C2=CC=CC(=C2)C#N)S(=O)(=O)C
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Product OPENEYE NAME: 6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile
CAS Name: 6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinecarbonitrile
IUPAC NAME: 6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile
SYSTEMATIC NAME: 6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carbonitrile
MOLECULAR FORMULA: C18H15N5
MOLECULAR WEIGHT: 301.3452
SMILES: C1CN(CC=C1C2=CNC3=C2C=CC=N3)C4=NC=C(C=C4)C#N
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Product OPENEYE NAME: 3-nitro-4-[2-(1-phenylpyrazol-4-yl)ethylamino]benzonitrile
CAS Name: 3-nitro-4-[2-(1-phenyl-4-pyrazolyl)ethylamino]benzonitrile
IUPAC NAME: 3-nitro-4-[2-(1-phenylpyrazol-4-yl)ethylamino]benzonitrile
SYSTEMATIC NAME: 3-nitro-4-[2-(1-phenylpyrazol-4-yl)ethylamino]benzenecarbonitrile
MOLECULAR FORMULA: C18H15N5O2
MOLECULAR WEIGHT: 333.344
SMILES: C1=CC=C(C=C1)N2C=C(C=N2)CCNC3=C(C=C(C=C3)C#N)[N+](=O)[O-]
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Product OPENEYE NAME: N-[3-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CAS Name: N-[3-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]-2-quinoxalinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
IUPAC NAME: N-[3-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SYSTEMATIC NAME: N-[3-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amino]quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
MOLECULAR FORMULA: C25H32N5O4S+
MOLECULAR WEIGHT: 498.61768
SMILES: CC1(CC(CC([NH2+]1)(C)C)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC5=C(C=C4)OCCO5)C
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Product OPENEYE NAME: N-[3-[(2,2,6,6-tetramethyl-4-piperidyl)amino]quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CAS Name: N-[3-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]-2-quinoxalinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
IUPAC NAME: N-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SYSTEMATIC NAME: N-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
MOLECULAR FORMULA: C25H31N5O4S
MOLECULAR WEIGHT: 497.60974
SMILES: CC1(CC(CC(N1)(C)C)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC5=C(C=C4)OCCO5)C
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Product OPENEYE NAME: 4-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrimidin-2-amine
CAS Name: 4-methoxy-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-2-pyrimidinamine
IUPAC NAME: 4-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrimidin-2-amine
SYSTEMATIC NAME: 4-methoxy-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyrimidin-2-amine
MOLECULAR FORMULA: C14H25N4O+
MOLECULAR WEIGHT: 265.3745
SMILES: CC1(CC(CC([NH2+]1)(C)C)NC2=NC=CC(=N2)OC)C
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Product OPENEYE NAME: N-isopropyl-3-nitro-4-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]benzamide
CAS Name: 3-nitro-N-propan-2-yl-4-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]benzamide
IUPAC NAME: 3-nitro-N-propan-2-yl-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]benzamide
SYSTEMATIC NAME: 3-nitro-N-propan-2-yl-4-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]benzamide
MOLECULAR FORMULA: C24H28N5O3+
MOLECULAR WEIGHT: 434.51082
SMILES: CC(C)NC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: N-isopropyl-3-nitro-4-[4-(8-quinolylmethyl)piperazin-1-yl]benzamide
CAS Name: 3-nitro-N-propan-2-yl-4-[4-(8-quinolinylmethyl)-1-piperazinyl]benzamide
IUPAC NAME: 3-nitro-N-propan-2-yl-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]benzamide
SYSTEMATIC NAME: 3-nitro-N-propan-2-yl-4-[4-(quinolin-8-ylmethyl)piperazin-1-yl]benzamide
MOLECULAR FORMULA: C24H27N5O3
MOLECULAR WEIGHT: 433.50288
SMILES: CC(C)NC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: (E)-3-(8-quinolyl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]prop-2-enehydrazide
CAS Name: (E)-N'-[1-oxo-2-[3-(trifluoromethyl)phenoxy]ethyl]-3-(8-quinolinyl)-2-propenehydrazide
IUPAC NAME: (E)-3-quinolin-8-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]prop-2-enehydrazide
SYSTEMATIC NAME: (E)-3-quinolin-8-yl-N'-[2-[3-(trifluoromethyl)phenoxy]ethanoyl]prop-2-enehydrazide
MOLECULAR FORMULA: C21H16F3N3O3
MOLECULAR WEIGHT: 415.36525
SMILES: C1=CC2=C(C(=C1)/C=C/C(=O)NNC(=O)COC3=CC=CC(=C3)C(F)(F)F)N=CC=C2
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Product OPENEYE NAME: 6-pyrimidin-2-ylsulfanyl-4H-1,4-benzoxazin-3-one
CAS Name: 6-(2-pyrimidinylthio)-4H-1,4-benzoxazin-3-one
IUPAC NAME: 6-pyrimidin-2-ylsulfanyl-4H-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-pyrimidin-2-ylsulfanyl-4H-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C12H9N3O2S
MOLECULAR WEIGHT: 259.28376
SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)SC3=NC=CC=N3
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Product OPENEYE NAME: N-[3-(azetidin-1-yl)quinoxalin-2-yl]-4-ethoxy-benzenesulfonamide
CAS Name: N-[3-(1-azetidinyl)-2-quinoxalinyl]-4-ethoxybenzenesulfonamide
IUPAC NAME: N-[3-(azetidin-1-yl)quinoxalin-2-yl]-4-ethoxybenzenesulfonamide
SYSTEMATIC NAME: N-[3-(azetidin-1-yl)quinoxalin-2-yl]-4-ethoxy-benzenesulfonamide
MOLECULAR FORMULA: C19H20N4O3S
MOLECULAR WEIGHT: 384.4521
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CCC4
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