Thursday, March 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-[(2,5-dimethoxyphenyl)carbamothioyl]-4-(1-piperidyl)piperidine-4-carboxamide
CAS Name: 1-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-4-(1-piperidinyl)-4-piperidinecarboxamide
IUPAC NAME: 1-[(2,5-dimethoxyphenyl)carbamothioyl]-4-piperidin-1-ylpiperidine-4-carboxamide
SYSTEMATIC NAME: 1-[(2,5-dimethoxyphenyl)carbamothioyl]-4-piperidin-1-yl-piperidine-4-carboxamide
MOLECULAR FORMULA: C20H30N4O3S
MOLECULAR WEIGHT: 406.5422
SMILES: COC1=CC(=C(C=C1)OC)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3
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Product OPENEYE NAME: 5-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CAS Name: 5-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
IUPAC NAME: 5-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(2,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C16H12Cl2N2O3
MOLECULAR WEIGHT: 351.18408
SMILES: COC1=C(C=C(C=C1)C2=NOC(=N2)C3=C(C=C(C=C3)Cl)Cl)OC
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Product OPENEYE NAME: 5-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CAS Name: 5-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
IUPAC NAME: 5-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[[2,4-bis(chloranyl)phenoxy]methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C17H14Cl2N2O4
MOLECULAR WEIGHT: 381.21006
SMILES: COC1=C(C=C(C=C1)C2=NOC(=N2)COC3=C(C=C(C=C3)Cl)Cl)OC
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Product OPENEYE NAME: N-[(2R)-2-hydroxy-3-(1-piperidyl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
CAS Name: N-[(2R)-2-hydroxy-3-(1-piperidinyl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
IUPAC NAME: N-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]-N-(4-methoxyphenyl)benzenesulfonamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-N-[(2R)-2-oxidanyl-3-piperidin-1-yl-propyl]benzenesulfonamide
MOLECULAR FORMULA: C21H28N2O4S
MOLECULAR WEIGHT: 404.52302
SMILES: COC1=CC=C(C=C1)N(C[C@@H](CN2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(2S)-2-hydroxy-3-(1-piperidyl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
CAS Name: N-[(2S)-2-hydroxy-3-(1-piperidinyl)propyl]-N-(4-methoxyphenyl)benzenesulfonamide
IUPAC NAME: N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-(4-methoxyphenyl)benzenesulfonamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-N-[(2S)-2-oxidanyl-3-piperidin-1-yl-propyl]benzenesulfonamide
MOLECULAR FORMULA: C21H28N2O4S
MOLECULAR WEIGHT: 404.52302
SMILES: COC1=CC=C(C=C1)N(C[C@H](CN2CCCCC2)O)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-cyclohexyl-2-[1-(3,4-dichlorophenyl)-6-hydroxy-4-oxo-pyrimidin-2-yl]sulfanyl-acetamide
CAS Name: N-cyclohexyl-2-[[1-(3,4-dichlorophenyl)-6-hydroxy-4-oxo-2-pyrimidinyl]thio]acetamide
IUPAC NAME: N-cyclohexyl-2-[1-(3,4-dichlorophenyl)-6-hydroxy-4-oxopyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-cyclohexyl-2-[1-(3,4-dichlorophenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C18H19Cl2N3O3S
MOLECULAR WEIGHT: 428.33276
SMILES: C1CCC(CC1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC(=C(C=C3)Cl)Cl)O
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Product OPENEYE NAME: 4-(4-bromophenyl)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]thiazole
CAS Name: 4-(4-bromophenyl)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]thiazole
IUPAC NAME: 4-(4-bromophenyl)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3-thiazole
SYSTEMATIC NAME: 4-(4-bromophenyl)-2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3-thiazole
MOLECULAR FORMULA: C17H12BrNO2S
MOLECULAR WEIGHT: 374.25168
SMILES: C1[C@H](OC2=CC=CC=C2O1)C3=NC(=CS3)C4=CC=C(C=C4)Br
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Product OPENEYE NAME: 4-(4-bromophenyl)-2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]thiazole
CAS Name: 4-(4-bromophenyl)-2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]thiazole
IUPAC NAME: 4-(4-bromophenyl)-2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3-thiazole
SYSTEMATIC NAME: 4-(4-bromophenyl)-2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3-thiazole
MOLECULAR FORMULA: C17H12BrNO2S
MOLECULAR WEIGHT: 374.25168
SMILES: C1[C@@H](OC2=CC=CC=C2O1)C3=NC(=CS3)C4=CC=C(C=C4)Br
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2-[6-hydroxy-4-oxo-1-(p-tolyl)pyrimidin-2-yl]sulfanyl-acetamide
CAS Name: N-(2,6-dimethylphenyl)-2-[[6-hydroxy-1-(4-methylphenyl)-4-oxo-2-pyrimidinyl]thio]acetamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2-[6-hydroxy-1-(4-methylphenyl)-4-oxopyrimidin-2-yl]sulfanylacetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-[1-(4-methylphenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide
MOLECULAR FORMULA: C21H21N3O3S
MOLECULAR WEIGHT: 395.47474
SMILES: CC1=CC=C(C=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=C(C=CC=C3C)C)O
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Product OPENEYE NAME: 5-[(2,4-dichlorophenyl)methylene]-2-(3-nitrophenyl)-1H-imidazol-4-one
CAS Name: 5-[(2,4-dichlorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-4-one
IUPAC NAME: 5-[(2,4-dichlorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-4-one
SYSTEMATIC NAME: 5-[(2,4-dichlorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-4-one
MOLECULAR FORMULA: C16H9Cl2N3O3
MOLECULAR WEIGHT: 362.16696
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)N2
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Product OPENEYE NAME: (5E)-5-[(2-chlorophenyl)methylene]-2-(4-nitrophenyl)-1H-imidazol-4-one
CAS Name: (5E)-5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)-1H-imidazol-4-one
IUPAC NAME: (5E)-5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)-1H-imidazol-4-one
SYSTEMATIC NAME: (5E)-5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)-1H-imidazol-4-one
MOLECULAR FORMULA: C16H10ClN3O3
MOLECULAR WEIGHT: 327.7219
SMILES: C1=CC=C(C(=C1)/C=C/2\C(=O)N=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 4-[(4-bromophenyl)methylene]-2-(3-nitrophenyl)oxazol-5-one
CAS Name: 4-[(4-bromophenyl)methylidene]-2-(3-nitrophenyl)-5-oxazolone
IUPAC NAME: 4-[(4-bromophenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-[(4-bromophenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
MOLECULAR FORMULA: C16H9BrN2O4
MOLECULAR WEIGHT: 373.15766
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=CC3=CC=C(C=C3)Br)C(=O)O2
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Product OPENEYE NAME: [2-methoxy-4-[(E)-[2-(3-nitrophenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] acetate
CAS Name: acetic acid [2-methoxy-4-[(E)-[2-(3-nitrophenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester
IUPAC NAME: [2-methoxy-4-[(E)-[2-(3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
SYSTEMATIC NAME: [2-methoxy-4-[(E)-[2-(3-nitrophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] ethanoate
MOLECULAR FORMULA: C19H14N2O7
MOLECULAR WEIGHT: 382.32366
SMILES: CC(=O)OC1=C(C=C(C=C1)/C=C/2\C(=O)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])OC
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Product OPENEYE NAME: [2-methoxy-4-[(Z)-[2-(3-nitrophenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] acetate
CAS Name: acetic acid [2-methoxy-4-[(Z)-[2-(3-nitrophenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester
IUPAC NAME: [2-methoxy-4-[(Z)-[2-(3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
SYSTEMATIC NAME: [2-methoxy-4-[(Z)-[2-(3-nitrophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] ethanoate
MOLECULAR FORMULA: C19H14N2O7
MOLECULAR WEIGHT: 382.32366
SMILES: CC(=O)OC1=C(C=C(C=C1)/C=C\2/C(=O)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])OC
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Product OPENEYE NAME: 2-(4-phenylthiazol-2-yl)benzo[f]chromen-3-one
CAS Name: 2-(4-phenyl-2-thiazolyl)-3-benzo[f][1]benzopyranone
IUPAC NAME: 2-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromen-3-one
SYSTEMATIC NAME: 2-(4-phenyl-1,3-thiazol-2-yl)benzo[f]chromen-3-one
MOLECULAR FORMULA: C22H13NO2S
MOLECULAR WEIGHT: 355.40912
SMILES: C1=CC=C(C=C1)C2=CSC(=N2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O
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Product OPENEYE NAME: 1-(6-bromo-8-quinolyl)-3-(4-chlorophenyl)urea
CAS Name: 1-(6-bromo-8-quinolinyl)-3-(4-chlorophenyl)urea
IUPAC NAME: 1-(6-bromoquinolin-8-yl)-3-(4-chlorophenyl)urea
SYSTEMATIC NAME: 1-(6-bromanylquinolin-8-yl)-3-(4-chlorophenyl)urea
MOLECULAR FORMULA: C16H11BrClN3O
MOLECULAR WEIGHT: 376.63504
SMILES: C1=CC2=CC(=CC(=C2N=C1)NC(=O)NC3=CC=C(C=C3)Cl)Br
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Product OPENEYE NAME: 1-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethoxyphenyl)methyleneamino]-1-naphthyl]methanimine
CAS Name: 1-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethoxyphenyl)methylideneamino]-1-naphthalenyl]methanimine
IUPAC NAME: 1-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethoxyphenyl)methylideneamino]naphthalen-1-yl]methanimine
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethoxyphenyl)methylideneamino]naphthalen-1-yl]methanimine
MOLECULAR FORMULA: C28H26N2O4
MOLECULAR WEIGHT: 454.51704
SMILES: COC1=C(C=C(C=C1)C=NC2=CC=C(C3=CC=CC=C32)N=CC4=CC(=C(C=C4)OC)OC)OC
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Product OPENEYE NAME: 1-benzhydryl-3-(1-naphthyl)urea
CAS Name: 1-(diphenylmethyl)-3-(1-naphthalenyl)urea
IUPAC NAME: 1-benzhydryl-3-naphthalen-1-ylurea
SYSTEMATIC NAME: 1-(diphenylmethyl)-3-naphthalen-1-yl-urea
MOLECULAR FORMULA: C24H20N2O
MOLECULAR WEIGHT: 352.4284
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)NC3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: 1-(3,4-dichlorophenyl)-3-(2,2-diphenylethyl)urea
CAS Name: 1-(3,4-dichlorophenyl)-3-(2,2-diphenylethyl)urea
IUPAC NAME: 1-(3,4-dichlorophenyl)-3-(2,2-diphenylethyl)urea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-(2,2-diphenylethyl)urea
MOLECULAR FORMULA: C21H18Cl2N2O
MOLECULAR WEIGHT: 385.28642
SMILES: C1=CC=C(C=C1)C(CNC(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: 1-(2,2-diphenylethyl)-3-(1-naphthyl)urea
CAS Name: 1-(2,2-diphenylethyl)-3-(1-naphthalenyl)urea
IUPAC NAME: 1-(2,2-diphenylethyl)-3-naphthalen-1-ylurea
SYSTEMATIC NAME: 1-(2,2-diphenylethyl)-3-naphthalen-1-yl-urea
MOLECULAR FORMULA: C25H22N2O
MOLECULAR WEIGHT: 366.45498
SMILES: C1=CC=C(C=C1)C(CNC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC=CC=C4
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Product OPENEYE NAME: (1R,3S,4R)-3,4-dibromocyclohexanecarboxylic acid
CAS Name: (1R,3S,4R)-3,4-dibromo-1-cyclohexanecarboxylic acid
IUPAC NAME: (1R,3S,4R)-3,4-dibromocyclohexane-1-carboxylic acid
SYSTEMATIC NAME: (1R,3S,4R)-3,4-bis(bromanyl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C7H10Br2O2
MOLECULAR WEIGHT: 285.9611
SMILES: C1C[C@H]([C@H](C[C@@H]1C(=O)O)Br)Br
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