Monday, March 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H13NO3
MOLECULAR WEIGHT: 315.32212
SMILES: C1CC2=CC=C3C4=C(C=CC1=C24)C(=O)N(C3=O)C5=CC=C(C=C5)O
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Product OPENEYE NAME: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-2-methoxy-4-methylsulfanyl-benzamide
CAS Name: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-2-methoxy-4-(methylthio)benzamide
IUPAC NAME: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-2-methoxy-4-methylsulfanylbenzamide
SYSTEMATIC NAME: N-(11-ethanoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-2-methoxy-4-methylsulfanyl-benzamide
MOLECULAR FORMULA: C25H24N2O3S
MOLECULAR WEIGHT: 432.53466
SMILES: CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)C4=C(C=C(C=C4)SC)OC
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Product OPENEYE NAME: (1R,3S)-N-(5-chloro-2-pyridyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxamide
CAS Name: (1R,3S)-N-(5-chloro-2-pyridinyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxamide
IUPAC NAME: (1R,3S)-N-(5-chloropyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: (1R,3S)-N-(5-chloranylpyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C15H19ClN2O
MOLECULAR WEIGHT: 278.77716
SMILES: CC(=C[C@H]1[C@H](C1(C)C)C(=O)NC2=NC=C(C=C2)Cl)C
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Product OPENEYE NAME: (1R,3R)-N-(5-chloro-2-pyridyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxamide
CAS Name: (1R,3R)-N-(5-chloro-2-pyridinyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxamide
IUPAC NAME: (1R,3R)-N-(5-chloropyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: (1R,3R)-N-(5-chloranylpyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C15H19ClN2O
MOLECULAR WEIGHT: 278.77716
SMILES: CC(=C[C@@H]1[C@H](C1(C)C)C(=O)NC2=NC=C(C=C2)Cl)C
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Product OPENEYE NAME: (1S,3S)-N-(5-chloro-2-pyridyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxamide
CAS Name: (1S,3S)-N-(5-chloro-2-pyridinyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxamide
IUPAC NAME: (1S,3S)-N-(5-chloropyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: (1S,3S)-N-(5-chloranylpyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C15H19ClN2O
MOLECULAR WEIGHT: 278.77716
SMILES: CC(=C[C@H]1[C@@H](C1(C)C)C(=O)NC2=NC=C(C=C2)Cl)C
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Product OPENEYE NAME: (1S,3R)-N-(5-chloro-2-pyridyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxamide
CAS Name: (1S,3R)-N-(5-chloro-2-pyridinyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxamide
IUPAC NAME: (1S,3R)-N-(5-chloropyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: (1S,3R)-N-(5-chloranylpyridin-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C15H19ClN2O
MOLECULAR WEIGHT: 278.77716
SMILES: CC(=C[C@@H]1[C@@H](C1(C)C)C(=O)NC2=NC=C(C=C2)Cl)C
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Product OPENEYE NAME: (2S)-2-[(2-methyl-8-quinolyl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CAS Name: (2S)-2-[(2-methyl-8-quinolinyl)thio]-N-(2,4,6-trimethylphenyl)propanamide
IUPAC NAME: (2S)-2-(2-methylquinolin-8-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-(2-methylquinolin-8-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
MOLECULAR FORMULA: C22H24N2OS
MOLECULAR WEIGHT: 364.50376
SMILES: CC1=NC2=C(C=CC=C2S[C@@H](C)C(=O)NC3=C(C=C(C=C3C)C)C)C=C1
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Product OPENEYE NAME: (2R)-2-[(2-methyl-8-quinolyl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CAS Name: (2R)-2-[(2-methyl-8-quinolinyl)thio]-N-(2,4,6-trimethylphenyl)propanamide
IUPAC NAME: (2R)-2-(2-methylquinolin-8-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
SYSTEMATIC NAME: (2R)-2-(2-methylquinolin-8-yl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
MOLECULAR FORMULA: C22H24N2OS
MOLECULAR WEIGHT: 364.50376
SMILES: CC1=NC2=C(C=CC=C2S[C@H](C)C(=O)NC3=C(C=C(C=C3C)C)C)C=C1
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Product OPENEYE NAME: 1-methoxy-N-[4-(4-pyridylmethyl)phenyl]naphthalene-2-carboxamide
CAS Name: 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]-2-naphthalenecarboxamide
IUPAC NAME: 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide
SYSTEMATIC NAME: 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]naphthalene-2-carboxamide
MOLECULAR FORMULA: C24H20N2O2
MOLECULAR WEIGHT: 368.4278
SMILES: COC1=C(C=CC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4
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Product OPENEYE NAME: N-[2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]ethyl]acetamide
CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]ethyl]acetamide
IUPAC NAME: N-[2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]ethyl]acetamide
SYSTEMATIC NAME: N-[2-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenyl]ethyl]ethanamide
MOLECULAR FORMULA: C18H20N2O5S
MOLECULAR WEIGHT: 376.4268
SMILES: CC(=O)NCCC1=CC=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: (4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxylic acid
CAS Name: (4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxylic acid
IUPAC NAME: (4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carboxylic acid
SYSTEMATIC NAME: (4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazole-4-carboxylic acid
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: CC1=NN(C(=O)[C@H]1C(=O)O)C2=CC=CC=C2
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Product OPENEYE NAME: (2S)-N-benzhydryl-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-(diphenylmethyl)-2-[(1-methyl-2-benzimidazolyl)thio]propanamide
IUPAC NAME: (2S)-N-benzhydryl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(diphenylmethyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C24H23N3OS
MOLECULAR WEIGHT: 401.52392
SMILES: C[C@@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=CC=CC=C4N3C
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Product OPENEYE NAME: (2R)-N-benzhydryl-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-(diphenylmethyl)-2-[(1-methyl-2-benzimidazolyl)thio]propanamide
IUPAC NAME: (2R)-N-benzhydryl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-(diphenylmethyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C24H23N3OS
MOLECULAR WEIGHT: 401.52392
SMILES: C[C@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NC4=CC=CC=C4N3C
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Product OPENEYE NAME: 3-(2-chlorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-one
CAS Name: 3-(2-chlorophenyl)-2-[[(1-phenyl-5-tetrazolyl)thio]methyl]-4-quinazolinone
IUPAC NAME: 3-(2-chlorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-one
SYSTEMATIC NAME: 3-(2-chlorophenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]quinazolin-4-one
MOLECULAR FORMULA: C22H15ClN6OS
MOLECULAR WEIGHT: 446.9121
SMILES: C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5Cl
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Product OPENEYE NAME: (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydryl-propanamide
CAS Name: (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(diphenylmethyl)propanamide
IUPAC NAME: (2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide
SYSTEMATIC NAME: (2S)-2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(diphenylmethyl)propanamide
MOLECULAR FORMULA: C18H18N4OS2
MOLECULAR WEIGHT: 370.49172
SMILES: C[C@@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NN=C(S3)N
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Product OPENEYE NAME: (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydryl-propanamide
CAS Name: (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(diphenylmethyl)propanamide
IUPAC NAME: (2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzhydrylpropanamide
SYSTEMATIC NAME: (2R)-2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(diphenylmethyl)propanamide
MOLECULAR FORMULA: C18H18N4OS2
MOLECULAR WEIGHT: 370.49172
SMILES: C[C@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NN=C(S3)N
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Product OPENEYE NAME: (3S)-3-hydroxy-1-methyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]indolin-2-one
CAS Name: (3S)-3-hydroxy-1-methyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]-2-indolone
IUPAC NAME: (3S)-3-hydroxy-1-methyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
SYSTEMATIC NAME: (3S)-1-methyl-3-oxidanyl-3-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]indol-2-one
MOLECULAR FORMULA: C23H19NO3
MOLECULAR WEIGHT: 357.40186
SMILES: CN1C2=CC=CC=C2[C@](C1=O)(CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)O
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Product OPENEYE NAME: (3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]indolin-2-one
CAS Name: (3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]-2-indolone
IUPAC NAME: (3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
SYSTEMATIC NAME: (3R)-1-methyl-3-oxidanyl-3-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]indol-2-one
MOLECULAR FORMULA: C23H19NO3
MOLECULAR WEIGHT: 357.40186
SMILES: CN1C2=CC=CC=C2[C@@](C1=O)(CC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)O
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Product OPENEYE NAME: 1-[3-[(1S)-1-hydroxyethyl]phenyl]-3-[3-[[3-[(1R)-1-hydroxyethyl]phenyl]carbamoylamino]phenyl]urea
CAS Name: 1-[3-[[[3-[(1R)-1-hydroxyethyl]anilino]-oxomethyl]amino]phenyl]-3-[3-[(1S)-1-hydroxyethyl]phenyl]urea
IUPAC NAME: 1-[3-[(1S)-1-hydroxyethyl]phenyl]-3-[3-[[3-[(1R)-1-hydroxyethyl]phenyl]carbamoylamino]phenyl]urea
SYSTEMATIC NAME: 1-[3-[(1S)-1-oxidanylethyl]phenyl]-3-[3-[[3-[(1R)-1-oxidanylethyl]phenyl]carbamoylamino]phenyl]urea
MOLECULAR FORMULA: C24H26N4O4
MOLECULAR WEIGHT: 434.48764
SMILES: C[C@@H](C1=CC(=CC=C1)NC(=O)NC2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)[C@@H](C)O)O
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Product OPENEYE NAME: 1-[3-[(1R)-1-hydroxyethyl]phenyl]-3-[3-[[3-[(1R)-1-hydroxyethyl]phenyl]carbamoylamino]phenyl]urea
CAS Name: 1-[3-[[[3-[(1R)-1-hydroxyethyl]anilino]-oxomethyl]amino]phenyl]-3-[3-[(1R)-1-hydroxyethyl]phenyl]urea
IUPAC NAME: 1-[3-[(1R)-1-hydroxyethyl]phenyl]-3-[3-[[3-[(1R)-1-hydroxyethyl]phenyl]carbamoylamino]phenyl]urea
SYSTEMATIC NAME: 1-[3-[(1R)-1-oxidanylethyl]phenyl]-3-[3-[[3-[(1R)-1-oxidanylethyl]phenyl]carbamoylamino]phenyl]urea
MOLECULAR FORMULA: C24H26N4O4
MOLECULAR WEIGHT: 434.48764
SMILES: C[C@H](C1=CC(=CC=C1)NC(=O)NC2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)[C@@H](C)O)O
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Product OPENEYE NAME: 1-[3-[(1S)-1-hydroxyethyl]phenyl]-3-[3-[[3-[(1S)-1-hydroxyethyl]phenyl]carbamoylamino]phenyl]urea
CAS Name: 1-[3-[[[3-[(1S)-1-hydroxyethyl]anilino]-oxomethyl]amino]phenyl]-3-[3-[(1S)-1-hydroxyethyl]phenyl]urea
IUPAC NAME: 1-[3-[(1S)-1-hydroxyethyl]phenyl]-3-[3-[[3-[(1S)-1-hydroxyethyl]phenyl]carbamoylamino]phenyl]urea
SYSTEMATIC NAME: 1-[3-[(1S)-1-oxidanylethyl]phenyl]-3-[3-[[3-[(1S)-1-oxidanylethyl]phenyl]carbamoylamino]phenyl]urea
MOLECULAR FORMULA: C24H26N4O4
MOLECULAR WEIGHT: 434.48764
SMILES: C[C@@H](C1=CC(=CC=C1)NC(=O)NC2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)[C@H](C)O)O
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Product OPENEYE NAME: 1-[3-(dimethylamino)phenyl]-3-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]urea
CAS Name: 1-[3-[[[3-(dimethylamino)anilino]-oxomethyl]amino]phenyl]-3-[3-(dimethylamino)phenyl]urea
IUPAC NAME: 1-[3-(dimethylamino)phenyl]-3-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]urea
SYSTEMATIC NAME: 1-[3-(dimethylamino)phenyl]-3-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]urea
MOLECULAR FORMULA: C24H28N6O2
MOLECULAR WEIGHT: 432.51812
SMILES: CN(C)C1=CC=CC(=C1)NC(=O)NC2=CC(=CC=C2)NC(=O)NC3=CC(=CC=C3)N(C)C
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Product OPENEYE NAME: 4-benzyl-N-[3-[(4-benzylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CAS Name: N-[3-[[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]amino]phenyl]-4-(phenylmethyl)-1-piperazinecarboxamide
IUPAC NAME: 4-benzyl-N-[3-[(4-benzylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
SYSTEMATIC NAME: 4-(phenylmethyl)-N-[3-[[4-(phenylmethyl)piperazin-1-yl]carbonylamino]phenyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C30H36N6O2
MOLECULAR WEIGHT: 512.64584
SMILES: C1CN(CCN1CC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)NC(=O)N4CCN(CC4)CC5=CC=CC=C5
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Product OPENEYE NAME: 2-chloro-N-[3-(dimethylamino)phenyl]benzamide
CAS Name: 2-chloro-N-[3-(dimethylamino)phenyl]benzamide
IUPAC NAME: 2-chloro-N-[3-(dimethylamino)phenyl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[3-(dimethylamino)phenyl]benzamide
MOLECULAR FORMULA: C15H15ClN2O
MOLECULAR WEIGHT: 274.7454
SMILES: CN(C)C1=CC=CC(=C1)NC(=O)C2=CC=CC=C2Cl
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