Wednesday, May 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[(3R)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]phthalazin-1-one
CAS Name: 2-[[(3R)-3-[oxo(1-pyrrolidinyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1-phthalazinone
IUPAC NAME: 2-[[(3R)-3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]phthalazin-1-one
SYSTEMATIC NAME: 2-[[(3R)-3-pyrrolidin-1-ylcarbonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]phthalazin-1-one
MOLECULAR FORMULA: C23H25N4O2+
MOLECULAR WEIGHT: 389.4702
SMILES: C1CCN(C1)C(=O)[C@H]2CC3=CC=CC=C3C[NH+]2CN4C(=O)C5=CC=CC=C5C=N4
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Product OPENEYE NAME: 2-[[(3R)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phthalazin-1-one
CAS Name: 2-[[(3R)-3-[oxo(1-pyrrolidinyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1-phthalazinone
IUPAC NAME: 2-[[(3R)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phthalazin-1-one
SYSTEMATIC NAME: 2-[[(3R)-3-pyrrolidin-1-ylcarbonyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phthalazin-1-one
MOLECULAR FORMULA: C23H24N4O2
MOLECULAR WEIGHT: 388.46226
SMILES: C1CCN(C1)C(=O)[C@H]2CC3=CC=CC=C3CN2CN4C(=O)C5=CC=CC=C5C=N4
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Product OPENEYE NAME: 2-(4-amino-3-butyl-5-morpholino-2,6-dioxo-pyrimidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CAS Name: 2-[4-amino-3-butyl-5-(4-morpholinyl)-2,6-dioxo-1-pyrimidinyl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
IUPAC NAME: 2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
SYSTEMATIC NAME: 2-[4-azanyl-3-butyl-5-morpholin-4-yl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-N-[2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]ethanamide
MOLECULAR FORMULA: C22H28F3N5O5
MOLECULAR WEIGHT: 499.48343
SMILES: CCCCN1C(=C(C(=O)N(C1=O)CC(=O)NC2=CC=CC=C2OCC(F)(F)F)N3CCOCC3)N
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Product OPENEYE NAME: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CAS Name: N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-5-(trifluoromethyl)-2-pyridinecarboxamide
IUPAC NAME: N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SYSTEMATIC NAME: N-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
MOLECULAR FORMULA: C21H18F3N3O3S
MOLECULAR WEIGHT: 449.44613
SMILES: CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC=C(C=C3)C(F)(F)F
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Product OPENEYE NAME: [(3R,5R)-3,5-dimethyl-1-piperidyl]-[6-(trifluoromethyl)-3-pyridyl]methanone
CAS Name: [(3R,5R)-3,5-dimethyl-1-piperidinyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
IUPAC NAME: [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[6-(trifluoromethyl)pyridin-3-yl]methanone
SYSTEMATIC NAME: [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[6-(trifluoromethyl)pyridin-3-yl]methanone
MOLECULAR FORMULA: C14H17F3N2O
MOLECULAR WEIGHT: 286.29279
SMILES: C[C@@H]1C[C@H](CN(C1)C(=O)C2=CN=C(C=C2)C(F)(F)F)C
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Product OPENEYE NAME: [(3S,5R)-3,5-dimethyl-1-piperidyl]-[6-(trifluoromethyl)-3-pyridyl]methanone
CAS Name: [(3S,5R)-3,5-dimethyl-1-piperidinyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
IUPAC NAME: [(3S,5R)-3,5-dimethylpiperidin-1-yl]-[6-(trifluoromethyl)pyridin-3-yl]methanone
SYSTEMATIC NAME: [(3S,5R)-3,5-dimethylpiperidin-1-yl]-[6-(trifluoromethyl)pyridin-3-yl]methanone
MOLECULAR FORMULA: C14H17F3N2O
MOLECULAR WEIGHT: 286.29279
SMILES: C[C@@H]1C[C@@H](CN(C1)C(=O)C2=CN=C(C=C2)C(F)(F)F)C
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Product OPENEYE NAME: [(3S,5S)-3,5-dimethyl-1-piperidyl]-[6-(trifluoromethyl)-3-pyridyl]methanone
CAS Name: [(3S,5S)-3,5-dimethyl-1-piperidinyl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
IUPAC NAME: [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[6-(trifluoromethyl)pyridin-3-yl]methanone
SYSTEMATIC NAME: [(3S,5S)-3,5-dimethylpiperidin-1-yl]-[6-(trifluoromethyl)pyridin-3-yl]methanone
MOLECULAR FORMULA: C14H17F3N2O
MOLECULAR WEIGHT: 286.29279
SMILES: C[C@H]1C[C@@H](CN(C1)C(=O)C2=CN=C(C=C2)C(F)(F)F)C
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Product OPENEYE NAME: [(3R,5R)-3,5-dimethyl-1-piperidyl]-[5-(trifluoromethyl)-2-pyridyl]methanone
CAS Name: [(3R,5R)-3,5-dimethyl-1-piperidinyl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
IUPAC NAME: [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[5-(trifluoromethyl)pyridin-2-yl]methanone
SYSTEMATIC NAME: [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[5-(trifluoromethyl)pyridin-2-yl]methanone
MOLECULAR FORMULA: C14H17F3N2O
MOLECULAR WEIGHT: 286.29279
SMILES: C[C@@H]1C[C@H](CN(C1)C(=O)C2=NC=C(C=C2)C(F)(F)F)C
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Product OPENEYE NAME: [(3S,5R)-3,5-dimethyl-1-piperidyl]-[5-(trifluoromethyl)-2-pyridyl]methanone
CAS Name: [(3S,5R)-3,5-dimethyl-1-piperidinyl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
IUPAC NAME: [(3S,5R)-3,5-dimethylpiperidin-1-yl]-[5-(trifluoromethyl)pyridin-2-yl]methanone
SYSTEMATIC NAME: [(3S,5R)-3,5-dimethylpiperidin-1-yl]-[5-(trifluoromethyl)pyridin-2-yl]methanone
MOLECULAR FORMULA: C14H17F3N2O
MOLECULAR WEIGHT: 286.29279
SMILES: C[C@@H]1C[C@@H](CN(C1)C(=O)C2=NC=C(C=C2)C(F)(F)F)C
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