Friday, May 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 5-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]carbamoyl]thiophene-2-carboxylate
CAS Name: 5-[[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-oxomethyl]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]carbamoyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C20H23NO5S
MOLECULAR WEIGHT: 389.46532
SMILES: CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(S3)C(=O)OC
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Product OPENEYE NAME: methyl 5-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]carbamoyl]thiophene-2-carboxylate
CAS Name: 5-[[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-oxomethyl]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 5-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]carbamoyl]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 5-[[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]carbamoyl]thiophene-2-carboxylate
MOLECULAR FORMULA: C20H23NO5S
MOLECULAR WEIGHT: 389.46532
SMILES: CC(C)[C@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=C(S3)C(=O)OC
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Product OPENEYE NAME: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-[5-(3-thienyl)tetrazol-2-yl]acetamide
CAS Name: N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-[5-(3-thiophenyl)-2-tetrazolyl]acetamide
IUPAC NAME: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SYSTEMATIC NAME: N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanamide
MOLECULAR FORMULA: C20H25N6OS+
MOLECULAR WEIGHT: 397.5171
SMILES: C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CN3N=C(N=N3)C4=CSC=C4
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Product OPENEYE NAME: N-[[4-(1-piperidylmethyl)phenyl]methyl]-2-[5-(3-thienyl)tetrazol-2-yl]acetamide
CAS Name: N-[[4-(1-piperidinylmethyl)phenyl]methyl]-2-[5-(3-thiophenyl)-2-tetrazolyl]acetamide
IUPAC NAME: N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
SYSTEMATIC NAME: N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanamide
MOLECULAR FORMULA: C20H24N6OS
MOLECULAR WEIGHT: 396.50916
SMILES: C1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)CN3N=C(N=N3)C4=CSC=C4
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Product OPENEYE NAME: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-cyclopropyl-2-imidazo[2,1-b]thiazol-6-yl-acetamide
CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-(6-imidazo[2,1-b]thiazolyl)acetamide
IUPAC NAME: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
SYSTEMATIC NAME: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-ethanamide
MOLECULAR FORMULA: C17H15ClFN3OS
MOLECULAR WEIGHT: 363.836903
SMILES: C1CC1N(CC2=C(C=CC=C2Cl)F)C(=O)CC3=CN4C=CSC4=N3
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Product OPENEYE NAME: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-cyclopropyl-4-(tetrazol-1-yl)benzamide
CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-(1-tetrazolyl)benzamide
IUPAC NAME: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-(tetrazol-1-yl)benzamide
SYSTEMATIC NAME: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopropyl-4-(1,2,3,4-tetrazol-1-yl)benzamide
MOLECULAR FORMULA: C18H15ClFN5O
MOLECULAR WEIGHT: 371.796003
SMILES: C1CC1N(CC2=C(C=CC=C2Cl)F)C(=O)C3=CC=C(C=C3)N4C=NN=N4
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Product OPENEYE NAME: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-cyclopropyl-1H-indole-2-carboxamide
CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1H-indole-2-carboxamide
IUPAC NAME: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1H-indole-2-carboxamide
SYSTEMATIC NAME: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopropyl-1H-indole-2-carboxamide
MOLECULAR FORMULA: C19H16ClFN2O
MOLECULAR WEIGHT: 342.794543
SMILES: C1CC1N(CC2=C(C=CC=C2Cl)F)C(=O)C3=CC4=CC=CC=C4N3
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Product OPENEYE NAME: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-cyclopropyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxamide
IUPAC NAME: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SYSTEMATIC NAME: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopropyl-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide
MOLECULAR FORMULA: C23H21ClFN3O3
MOLECULAR WEIGHT: 441.882543
SMILES: C1CC1N(CC2=C(C=CC=C2Cl)F)C(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4
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Product OPENEYE NAME: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-cyclopropyl-1,5-dimethyl-pyrazole-4-carboxamide
CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1,5-dimethyl-4-pyrazolecarboxamide
IUPAC NAME: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1,5-dimethylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-cyclopropyl-1,5-dimethyl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C16H17ClFN3O
MOLECULAR WEIGHT: 321.777083
SMILES: CC1=C(C=NN1C)C(=O)N(CC2=C(C=CC=C2Cl)F)C3CC3
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Product OPENEYE NAME: (6-methyl-3-pyridyl)-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CAS Name: (6-methyl-3-pyridinyl)-[(2R)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone
IUPAC NAME: (6-methylpyridin-3-yl)-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
SYSTEMATIC NAME: (6-methylpyridin-3-yl)-[(2R)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
MOLECULAR FORMULA: C18H23N3O
MOLECULAR WEIGHT: 297.39472
SMILES: CC1=NC=C(C=C1)C(=O)N2CCCCC[C@@H]2C3=CC=CN3C
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Product OPENEYE NAME: (6-methyl-3-pyridyl)-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CAS Name: (6-methyl-3-pyridinyl)-[(2S)-2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone
IUPAC NAME: (6-methylpyridin-3-yl)-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
SYSTEMATIC NAME: (6-methylpyridin-3-yl)-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
MOLECULAR FORMULA: C18H23N3O
MOLECULAR WEIGHT: 297.39472
SMILES: CC1=NC=C(C=C1)C(=O)N2CCCCC[C@H]2C3=CC=CN3C
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Product OPENEYE NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CAS Name: N-[(3R)-1,1-dioxo-3-thiolanyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
IUPAC NAME: N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SYSTEMATIC NAME: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
MOLECULAR FORMULA: C18H18N4O6S2
MOLECULAR WEIGHT: 450.48872
SMILES: C1CS(=O)(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4
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Product OPENEYE NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
IUPAC NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
SYSTEMATIC NAME: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
MOLECULAR FORMULA: C18H18N4O6S2
MOLECULAR WEIGHT: 450.48872
SMILES: C1CS(=O)(=O)C[C@H]1NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4
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