Tuesday, April 3, 2012

All Chemical Compounds Information



Product OPENEYE NAME: [(3R,3aS,5R)-3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(4-methoxyphenyl)methanone
CAS Name: [(3R,3aS,5R)-3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(4-methoxyphenyl)methanone
IUPAC NAME: [(3R,3aS,5R)-3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: [(3R,3aS,5R)-5-methyl-3-oxidanyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C17H19F3N2O3
MOLECULAR WEIGHT: 356.33957
SMILES: C[C@@H]1CCC2=NN([C@@]([C@H]2C1)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 1-[(3R,3aS,5R)-3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-phenoxy-ethanone
CAS Name: 1-[(3R,3aS,5R)-3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-phenoxyethanone
IUPAC NAME: 1-[(3R,3aS,5R)-3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-phenoxyethanone
SYSTEMATIC NAME: 1-[(3R,3aS,5R)-5-methyl-3-oxidanyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-phenoxy-ethanone
MOLECULAR FORMULA: C17H19F3N2O3
MOLECULAR WEIGHT: 356.33957
SMILES: C[C@@H]1CCC2=NN([C@@]([C@H]2C1)(C(F)(F)F)O)C(=O)COC3=CC=CC=C3
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Product OPENEYE NAME: 1-[(3S,3aS,5R)-3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-(2-methylphenoxy)ethanone
CAS Name: 1-[(3S,3aS,5R)-3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-(2-methylphenoxy)ethanone
IUPAC NAME: 1-[(3S,3aS,5R)-3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-(2-methylphenoxy)ethanone
SYSTEMATIC NAME: 1-[(3S,3aS,5R)-5-methyl-3-oxidanyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-2-(2-methylphenoxy)ethanone
MOLECULAR FORMULA: C18H21F3N2O3
MOLECULAR WEIGHT: 370.36615
SMILES: C[C@@H]1CCC2=NN([C@]([C@H]2C1)(C(F)(F)F)O)C(=O)COC3=CC=CC=C3C
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Product OPENEYE NAME: 6-hydroxy-5-methyl-1-(m-tolyl)-2-thioxo-pyrimidin-4-one
CAS Name: 6-hydroxy-5-methyl-1-(3-methylphenyl)-2-sulfanylidene-4-pyrimidinone
IUPAC NAME: 6-hydroxy-5-methyl-1-(3-methylphenyl)-2-sulfanylidenepyrimidin-4-one
SYSTEMATIC NAME: 5-methyl-1-(3-methylphenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one
MOLECULAR FORMULA: C12H12N2O2S
MOLECULAR WEIGHT: 248.30088
SMILES: CC1=CC(=CC=C1)N2C(=C(C(=O)NC2=S)C)O
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Product OPENEYE NAME: (3S)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3S)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3S)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C20H20N2O4
MOLECULAR WEIGHT: 352.3838
SMILES: CC1=C(C(=CC=C1)N2C[C@H](CC2=O)C(=O)NC3=CC4=C(C=C3)OCO4)C
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Product OPENEYE NAME: (3R)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3R)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3R)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C20H20N2O4
MOLECULAR WEIGHT: 352.3838
SMILES: CC1=C(C(=CC=C1)N2C[C@@H](CC2=O)C(=O)NC3=CC4=C(C=C3)OCO4)C
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Product OPENEYE NAME: (3S)-1-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CAS Name: (3S)-1-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]-3-piperidinecarboxamide
IUPAC NAME: (3S)-1-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[(2-methoxyphenyl)methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C20H24N2O4S
MOLECULAR WEIGHT: 388.48056
SMILES: COC1=CC=CC=C1CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (3R)-1-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CAS Name: (3R)-1-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-1-(benzenesulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-[(2-methoxyphenyl)methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C20H24N2O4S
MOLECULAR WEIGHT: 388.48056
SMILES: COC1=CC=CC=C1CNC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (3S)-1-(benzenesulfonyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CAS Name: (3S)-1-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-piperidinecarboxamide
IUPAC NAME: (3S)-1-(benzenesulfonyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-(4-ethoxyphenyl)-1-(phenylsulfonyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C20H24N2O4S
MOLECULAR WEIGHT: 388.48056
SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: (3R)-1-(benzenesulfonyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CAS Name: (3R)-1-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-piperidinecarboxamide
IUPAC NAME: (3R)-1-(benzenesulfonyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-(4-ethoxyphenyl)-1-(phenylsulfonyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C20H24N2O4S
MOLECULAR WEIGHT: 388.48056
SMILES: CCOC1=CC=C(C=C1)NC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 4-(1,3-benzodioxol-5-ylmethyl)-N-benzyl-piperazine-1-carboxamide
CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(phenylmethyl)-1-piperazinecarboxamide
IUPAC NAME: 4-(1,3-benzodioxol-5-ylmethyl)-N-benzylpiperazine-1-carboxamide
SYSTEMATIC NAME: 4-(1,3-benzodioxol-5-ylmethyl)-N-(phenylmethyl)piperazine-1-carboxamide
MOLECULAR FORMULA: C20H23N3O3
MOLECULAR WEIGHT: 353.41492
SMILES: C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)NCC4=CC=CC=C4
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