Tuesday, April 3, 2012

All Chemical Compounds Information



Product OPENEYE NAME: [(3S,3aS)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
CAS Name: [(3S,3aS)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
IUPAC NAME: [(3S,3aS)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
SYSTEMATIC NAME: [(3S,3aS)-3-oxidanyl-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
MOLECULAR FORMULA: C18H21F3N2O4
MOLECULAR WEIGHT: 386.36555
SMILES: COC1=C(C=C(C=C1)C(=O)N2[C@]([C@H]3CCCCCC3=N2)(C(F)(F)F)O)OC
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Product OPENEYE NAME: [(3S,3aR)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
CAS Name: [(3S,3aR)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
IUPAC NAME: [(3S,3aR)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
SYSTEMATIC NAME: [(3S,3aR)-3-oxidanyl-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
MOLECULAR FORMULA: C18H21F3N2O4
MOLECULAR WEIGHT: 386.36555
SMILES: COC1=C(C=C(C=C1)C(=O)N2[C@]([C@@H]3CCCCCC3=N2)(C(F)(F)F)O)OC
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Product OPENEYE NAME: [(3R,3aS)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
CAS Name: [(3R,3aS)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
IUPAC NAME: [(3R,3aS)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
SYSTEMATIC NAME: [(3R,3aS)-3-oxidanyl-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
MOLECULAR FORMULA: C18H21F3N2O4
MOLECULAR WEIGHT: 386.36555
SMILES: COC1=C(C=C(C=C1)C(=O)N2[C@@]([C@H]3CCCCCC3=N2)(C(F)(F)F)O)OC
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Product OPENEYE NAME: [(3R,3aR)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
CAS Name: [(3R,3aR)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
IUPAC NAME: [(3R,3aR)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
SYSTEMATIC NAME: [(3R,3aR)-3-oxidanyl-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]-(3,4-dimethoxyphenyl)methanone
MOLECULAR FORMULA: C18H21F3N2O4
MOLECULAR WEIGHT: 386.36555
SMILES: COC1=C(C=C(C=C1)C(=O)N2[C@@]([C@@H]3CCCCCC3=N2)(C(F)(F)F)O)OC
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Product OPENEYE NAME: 2-(3,5-dimethylphenoxy)-1-[(5S)-5-hydroxy-3-isopropyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CAS Name: 2-(3,5-dimethylphenoxy)-1-[(5S)-5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
IUPAC NAME: 2-(3,5-dimethylphenoxy)-1-[(5S)-5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
SYSTEMATIC NAME: 2-(3,5-dimethylphenoxy)-1-[(5S)-5-oxidanyl-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
MOLECULAR FORMULA: C17H21F3N2O3
MOLECULAR WEIGHT: 358.35545
SMILES: CC1=CC(=CC(=C1)OCC(=O)N2[C@](CC(=N2)C(C)C)(C(F)(F)F)O)C
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Product OPENEYE NAME: 2-(3,5-dimethylphenoxy)-1-[(5R)-5-hydroxy-3-isopropyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CAS Name: 2-(3,5-dimethylphenoxy)-1-[(5R)-5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
IUPAC NAME: 2-(3,5-dimethylphenoxy)-1-[(5R)-5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
SYSTEMATIC NAME: 2-(3,5-dimethylphenoxy)-1-[(5R)-5-oxidanyl-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
MOLECULAR FORMULA: C17H21F3N2O3
MOLECULAR WEIGHT: 358.35545
SMILES: CC1=CC(=CC(=C1)OCC(=O)N2[C@@](CC(=N2)C(C)C)(C(F)(F)F)O)C
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Product OPENEYE NAME: 2-(3,4-dimethylphenoxy)-1-[(5S)-5-hydroxy-3-isopropyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CAS Name: 2-(3,4-dimethylphenoxy)-1-[(5S)-5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
IUPAC NAME: 2-(3,4-dimethylphenoxy)-1-[(5S)-5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
SYSTEMATIC NAME: 2-(3,4-dimethylphenoxy)-1-[(5S)-5-oxidanyl-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
MOLECULAR FORMULA: C17H21F3N2O3
MOLECULAR WEIGHT: 358.35545
SMILES: CC1=C(C=C(C=C1)OCC(=O)N2[C@](CC(=N2)C(C)C)(C(F)(F)F)O)C
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Product OPENEYE NAME: 2-(3,4-dimethylphenoxy)-1-[(5R)-5-hydroxy-3-isopropyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CAS Name: 2-(3,4-dimethylphenoxy)-1-[(5R)-5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
IUPAC NAME: 2-(3,4-dimethylphenoxy)-1-[(5R)-5-hydroxy-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
SYSTEMATIC NAME: 2-(3,4-dimethylphenoxy)-1-[(5R)-5-oxidanyl-3-propan-2-yl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
MOLECULAR FORMULA: C17H21F3N2O3
MOLECULAR WEIGHT: 358.35545
SMILES: CC1=C(C=C(C=C1)OCC(=O)N2[C@@](CC(=N2)C(C)C)(C(F)(F)F)O)C
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Product OPENEYE NAME: [(3S,3aR,5S)-3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-[4-(dimethylamino)phenyl]methanone
CAS Name: [(3S,3aR,5S)-3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-[4-(dimethylamino)phenyl]methanone
IUPAC NAME: [(3S,3aR,5S)-3-hydroxy-5-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-[4-(dimethylamino)phenyl]methanone
SYSTEMATIC NAME: [(3S,3aR,5S)-5-methyl-3-oxidanyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aH-indazol-2-yl]-[4-(dimethylamino)phenyl]methanone
MOLECULAR FORMULA: C18H22F3N3O2
MOLECULAR WEIGHT: 369.38139
SMILES: C[C@H]1CCC2=NN([C@]([C@@H]2C1)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)N(C)C
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