Tuesday, April 3, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-methyl-N-(3-nitrophenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide
CAS Name: 4-methyl-N-(3-nitrophenyl)-3-(1-pyrrolidinylsulfonyl)benzamide
IUPAC NAME: 4-methyl-N-(3-nitrophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: 4-methyl-N-(3-nitrophenyl)-3-pyrrolidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C18H19N3O5S
MOLECULAR WEIGHT: 389.42556
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3
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Product OPENEYE NAME: N-(4-iodophenyl)-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide
CAS Name: N-(4-iodophenyl)-4-methyl-3-(1-pyrrolidinylsulfonyl)benzamide
IUPAC NAME: N-(4-iodophenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: N-(4-iodophenyl)-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C18H19IN2O3S
MOLECULAR WEIGHT: 470.32453
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)I)S(=O)(=O)N3CCCC3
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Product OPENEYE NAME: N-(4-acetylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide
CAS Name: N-(4-acetylphenyl)-4-methyl-3-(1-pyrrolidinylsulfonyl)benzamide
IUPAC NAME: N-(4-acetylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SYSTEMATIC NAME: N-(4-ethanoylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonyl-benzamide
MOLECULAR FORMULA: C20H22N2O4S
MOLECULAR WEIGHT: 386.46468
SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)C)S(=O)(=O)N3CCCC3
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Product OPENEYE NAME: methyl (4S)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CAS Name: (4S)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4S)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SYSTEMATIC NAME: methyl (4S)-4-[2,3-bis(chloranyl)phenyl]-2-methyl-5-oxidanylidene-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C21H15Cl2NO3
MOLECULAR WEIGHT: 400.2547
SMILES: CC1=C([C@H](C2=C(N1)C3=CC=CC=C3C2=O)C4=C(C(=CC=C4)Cl)Cl)C(=O)OC
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Product OPENEYE NAME: methyl (4R)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CAS Name: (4R)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylic acid methyl ester
IUPAC NAME: methyl (4R)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
SYSTEMATIC NAME: methyl (4R)-4-[2,3-bis(chloranyl)phenyl]-2-methyl-5-oxidanylidene-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C21H15Cl2NO3
MOLECULAR WEIGHT: 400.2547
SMILES: CC1=C([C@@H](C2=C(N1)C3=CC=CC=C3C2=O)C4=C(C(=CC=C4)Cl)Cl)C(=O)OC
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Product OPENEYE NAME: N-(3-chloro-4-fluoro-phenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
IUPAC NAME: N-(3-chloro-4-fluorophenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide
MOLECULAR FORMULA: C16H12ClFN2O2S
MOLECULAR WEIGHT: 350.795083
SMILES: C1=CC=C2C(=C1)NC(=O)[C@H](S2)CC(=O)NC3=CC(=C(C=C3)F)Cl
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Product OPENEYE NAME: N-(3-chloro-4-fluoro-phenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
IUPAC NAME: N-(3-chloro-4-fluorophenyl)-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
SYSTEMATIC NAME: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide
MOLECULAR FORMULA: C16H12ClFN2O2S
MOLECULAR WEIGHT: 350.795083
SMILES: C1=CC=C2C(=C1)NC(=O)[C@@H](S2)CC(=O)NC3=CC(=C(C=C3)F)Cl
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Product OPENEYE NAME: (6R)-2-(3-chloro-4-fluoro-anilino)-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
CAS Name: (6R)-2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
IUPAC NAME: (6R)-2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SYSTEMATIC NAME: (6R)-2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-N-(4-methoxyphenyl)-4-oxidanylidene-5,6-dihydro-1,3-thiazine-6-carboxamide
MOLECULAR FORMULA: C18H15ClFN3O3S
MOLECULAR WEIGHT: 407.846403
SMILES: COC1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)N=C(S2)NC3=CC(=C(C=C3)F)Cl
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Product OPENEYE NAME: (6S)-2-(3-chloro-4-fluoro-anilino)-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
CAS Name: (6S)-2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
IUPAC NAME: (6S)-2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxamide
SYSTEMATIC NAME: (6S)-2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-N-(4-methoxyphenyl)-4-oxidanylidene-5,6-dihydro-1,3-thiazine-6-carboxamide
MOLECULAR FORMULA: C18H15ClFN3O3S
MOLECULAR WEIGHT: 407.846403
SMILES: COC1=CC=C(C=C1)NC(=O)[C@@H]2CC(=O)N=C(S2)NC3=CC(=C(C=C3)F)Cl
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Product OPENEYE NAME: [4-[(6S)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] propanoate
CAS Name: propanoic acid [4-[(6S)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] ester
IUPAC NAME: [4-[(6S)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] propanoate
SYSTEMATIC NAME: [4-[(6S)-9,9-dimethyl-7-oxidanylidene-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] propanoate
MOLECULAR FORMULA: C24H26N2O3
MOLECULAR WEIGHT: 390.47484
SMILES: CCC(=O)OC1=CC=C(C=C1)[C@H]2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2
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Product OPENEYE NAME: [4-[(6R)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] propanoate
CAS Name: propanoic acid [4-[(6R)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] ester
IUPAC NAME: [4-[(6R)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] propanoate
SYSTEMATIC NAME: [4-[(6R)-9,9-dimethyl-7-oxidanylidene-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-6-yl]phenyl] propanoate
MOLECULAR FORMULA: C24H26N2O3
MOLECULAR WEIGHT: 390.47484
SMILES: CCC(=O)OC1=CC=C(C=C1)[C@@H]2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2
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Product OPENEYE NAME: (1S)-1-(1H-benzo[f]benzimidazol-2-yl)ethanol
CAS Name: (1S)-1-(1H-benzo[f]benzimidazol-2-yl)ethanol
IUPAC NAME: (1S)-1-(1H-benzo[f]benzimidazol-2-yl)ethanol
SYSTEMATIC NAME: (1S)-1-(1H-benzo[f]benzimidazol-2-yl)ethanol
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: C[C@@H](C1=NC2=CC3=CC=CC=C3C=C2N1)O
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Product OPENEYE NAME: (1R)-1-(1H-benzo[f]benzimidazol-2-yl)ethanol
CAS Name: (1R)-1-(1H-benzo[f]benzimidazol-2-yl)ethanol
IUPAC NAME: (1R)-1-(1H-benzo[f]benzimidazol-2-yl)ethanol
SYSTEMATIC NAME: (1R)-1-(1H-benzo[f]benzimidazol-2-yl)ethanol
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: C[C@H](C1=NC2=CC3=CC=CC=C3C=C2N1)O
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Product OPENEYE NAME: 2-(3-pyridyl)-3H-benzo[e]benzimidazole
CAS Name: 2-(3-pyridinyl)-3H-benzo[e]benzimidazole
IUPAC NAME: 2-pyridin-3-yl-3H-benzo[e]benzimidazole
SYSTEMATIC NAME: 2-pyridin-3-yl-3H-benzo[e]benzimidazole
MOLECULAR FORMULA: C16H11N3
MOLECULAR WEIGHT: 245.27864
SMILES: C1=CC=C2C(=C1)C=CC3=C2N=C(N3)C4=CN=CC=C4
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Product OPENEYE NAME: 2-benzyl-1H-benzo[f]benzimidazole
CAS Name: 2-(phenylmethyl)-1H-benzo[f]benzimidazole
IUPAC NAME: 2-benzyl-1H-benzo[f]benzimidazole
SYSTEMATIC NAME: 2-(phenylmethyl)-1H-benzo[f]benzimidazole
MOLECULAR FORMULA: C18H14N2
MOLECULAR WEIGHT: 258.31716
SMILES: C1=CC=C(C=C1)CC2=NC3=CC4=CC=CC=C4C=C3N2
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Product OPENEYE NAME: methyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate
CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester
IUPAC NAME: methyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: methyl 2-(cyclohexylcarbonylamino)-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C16H18N2O3S
MOLECULAR WEIGHT: 318.39072
SMILES: COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCCC3
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Product OPENEYE NAME: methyl 2-[(4-methoxycarbonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CAS Name: 2-[[(4-methoxycarbonylphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester
IUPAC NAME: methyl 2-[(4-methoxycarbonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
SYSTEMATIC NAME: methyl 2-[(4-methoxycarbonylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate
MOLECULAR FORMULA: C18H14N2O5S
MOLECULAR WEIGHT: 370.37916
SMILES: COC(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC
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Product OPENEYE NAME: [(1S)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
CAS Name: cyclohexanecarboxylic acid [(1S)-1-(1H-benzimidazol-2-yl)ethyl] ester
IUPAC NAME: [(1S)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
SYSTEMATIC NAME: [(1S)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: C[C@@H](C1=NC2=CC=CC=C2N1)OC(=O)C3CCCCC3
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Product OPENEYE NAME: [(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
CAS Name: cyclohexanecarboxylic acid [(1R)-1-(1H-benzimidazol-2-yl)ethyl] ester
IUPAC NAME: [(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
SYSTEMATIC NAME: [(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: C[C@H](C1=NC2=CC=CC=C2N1)OC(=O)C3CCCCC3
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Product OPENEYE NAME: O1-methyl O4-[(1S)-1-(6-nitro-1H-benzimidazol-2-yl)ethyl] benzene-1,4-dicarboxylate
CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[(1S)-1-(6-nitro-1H-benzimidazol-2-yl)ethyl] ester
IUPAC NAME: 1-O-methyl 4-O-[(1S)-1-(6-nitro-1H-benzimidazol-2-yl)ethyl] benzene-1,4-dicarboxylate
SYSTEMATIC NAME: O1-methyl O4-[(1S)-1-(6-nitro-1H-benzimidazol-2-yl)ethyl] benzene-1,4-dicarboxylate
MOLECULAR FORMULA: C18H15N3O6
MOLECULAR WEIGHT: 369.3282
SMILES: C[C@@H](C1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)C(=O)OC
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Product OPENEYE NAME: 2-pyrazin-2-yl-3H-benzimidazol-5-amine
CAS Name: 2-(2-pyrazinyl)-3H-benzimidazol-5-amine
IUPAC NAME: 2-pyrazin-2-yl-3H-benzimidazol-5-amine
SYSTEMATIC NAME: 2-pyrazin-2-yl-3H-benzimidazol-5-amine
MOLECULAR FORMULA: C11H9N5
MOLECULAR WEIGHT: 211.22266
SMILES: C1=CC2=C(C=C1N)NC(=N2)C3=NC=CN=C3
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