Tuesday, April 3, 2012

All Chemical Compounds Information



Product OPENEYE NAME: 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethoxy]-4-ethyl-chromen-2-one
CAS Name: 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethyl-1-benzopyran-2-one
IUPAC NAME: 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one
SYSTEMATIC NAME: 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethoxy]-4-ethyl-chromen-2-one
MOLECULAR FORMULA: C22H21NO4
MOLECULAR WEIGHT: 363.40644
SMILES: CCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCCC4=CC=CC=C43
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Product OPENEYE NAME: (3,4-dimethoxyphenyl)-[(5S)-5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CAS Name: (3,4-dimethoxyphenyl)-[(5S)-5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
IUPAC NAME: (3,4-dimethoxyphenyl)-[(5S)-5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SYSTEMATIC NAME: (3,4-dimethoxyphenyl)-[(5S)-5-oxidanyl-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
MOLECULAR FORMULA: C16H19F3N2O4
MOLECULAR WEIGHT: 360.32827
SMILES: CCCC1=NN([C@](C1)(C(F)(F)F)O)C(=O)C2=CC(=C(C=C2)OC)OC
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Product OPENEYE NAME: (3,4-dimethoxyphenyl)-[(5R)-5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CAS Name: (3,4-dimethoxyphenyl)-[(5R)-5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
IUPAC NAME: (3,4-dimethoxyphenyl)-[(5R)-5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SYSTEMATIC NAME: (3,4-dimethoxyphenyl)-[(5R)-5-oxidanyl-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
MOLECULAR FORMULA: C16H19F3N2O4
MOLECULAR WEIGHT: 360.32827
SMILES: CCCC1=NN([C@@](C1)(C(F)(F)F)O)C(=O)C2=CC(=C(C=C2)OC)OC
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Product OPENEYE NAME: [(5S)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone
CAS Name: [(5S)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone
IUPAC NAME: [(5S)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone
SYSTEMATIC NAME: [(5S)-3-cyclohexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone
MOLECULAR FORMULA: C19H23F3N2O4
MOLECULAR WEIGHT: 400.39213
SMILES: COC1=C(C=C(C=C1)C(=O)N2[C@](CC(=N2)C3CCCCC3)(C(F)(F)F)O)OC
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Product OPENEYE NAME: [(5R)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone
CAS Name: [(5R)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone
IUPAC NAME: [(5R)-3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone
SYSTEMATIC NAME: [(5R)-3-cyclohexyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3,4-dimethoxyphenyl)methanone
MOLECULAR FORMULA: C19H23F3N2O4
MOLECULAR WEIGHT: 400.39213
SMILES: COC1=C(C=C(C=C1)C(=O)N2[C@@](CC(=N2)C3CCCCC3)(C(F)(F)F)O)OC
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Product OPENEYE NAME: [(3S,3aS)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
CAS Name: [(3S,3aS)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
IUPAC NAME: [(3S,3aS)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
SYSTEMATIC NAME: [(3S,3aS)-3-oxidanyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
MOLECULAR FORMULA: C17H19F3N2O4
MOLECULAR WEIGHT: 372.33897
SMILES: COC1=C(C=C(C=C1)C(=O)N2[C@]([C@H]3CCCCC3=N2)(C(F)(F)F)O)OC
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Product OPENEYE NAME: [(3S,3aR)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
CAS Name: [(3S,3aR)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
IUPAC NAME: [(3S,3aR)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
SYSTEMATIC NAME: [(3S,3aR)-3-oxidanyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
MOLECULAR FORMULA: C17H19F3N2O4
MOLECULAR WEIGHT: 372.33897
SMILES: COC1=C(C=C(C=C1)C(=O)N2[C@]([C@@H]3CCCCC3=N2)(C(F)(F)F)O)OC
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Product OPENEYE NAME: [(3R,3aS)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
CAS Name: [(3R,3aS)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
IUPAC NAME: [(3R,3aS)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
SYSTEMATIC NAME: [(3R,3aS)-3-oxidanyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
MOLECULAR FORMULA: C17H19F3N2O4
MOLECULAR WEIGHT: 372.33897
SMILES: COC1=C(C=C(C=C1)C(=O)N2[C@@]([C@H]3CCCCC3=N2)(C(F)(F)F)O)OC
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Product OPENEYE NAME: [(3R,3aR)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
CAS Name: [(3R,3aR)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
IUPAC NAME: [(3R,3aR)-3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
SYSTEMATIC NAME: [(3R,3aR)-3-oxidanyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-(3,4-dimethoxyphenyl)methanone
MOLECULAR FORMULA: C17H19F3N2O4
MOLECULAR WEIGHT: 372.33897
SMILES: COC1=C(C=C(C=C1)C(=O)N2[C@@]([C@@H]3CCCCC3=N2)(C(F)(F)F)O)OC
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