Monday, February 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C19H15ClN2O5
MOLECULAR WEIGHT: 386.7858
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)NC3=NC=C(C=C3)Cl
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Product OPENEYE NAME: benzhydryl-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]ammonium
CAS Name: (diphenylmethyl)-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]ammonium
IUPAC NAME: benzhydryl-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
SYSTEMATIC NAME: (diphenylmethyl)-methyl-[2-oxidanylidene-2-[[2,3,4-tris(fluoranyl)phenyl]amino]ethyl]azanium
MOLECULAR FORMULA: C22H20F3N2O+
MOLECULAR WEIGHT: 385.40221
SMILES: C[NH+](CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide
MOLECULAR FORMULA: C22H19F3N2O
MOLECULAR WEIGHT: 384.39427
SMILES: CN(CC(=O)NC1=C(C(=C(C=C1)F)F)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-(3-methylsulfanylpropyl)thiourea
CAS Name: 1-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-3-[3-(methylthio)propyl]thiourea
IUPAC NAME: 1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-(3-methylsulfanylpropyl)thiourea
SYSTEMATIC NAME: 1-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-(3-methylsulfanylpropyl)thiourea
MOLECULAR FORMULA: C17H21N3O4S2
MOLECULAR WEIGHT: 395.49634
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NNC(=S)NCCCSC
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[[(1R)-tetralin-1-yl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H23NO5
MOLECULAR WEIGHT: 405.44312
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)N[C@@H]3CCCC4=CC=CC=C34
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Product OPENEYE NAME: (2R)-2-(4-bromo-2-fluoro-phenoxy)-N-(2,4-difluorophenyl)propanamide
CAS Name: (2R)-2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)propanamide
IUPAC NAME: (2R)-2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)propanamide
SYSTEMATIC NAME: (2R)-N-[2,4-bis(fluoranyl)phenyl]-2-(4-bromanyl-2-fluoranyl-phenoxy)propanamide
MOLECULAR FORMULA: C15H11BrF3NO2
MOLECULAR WEIGHT: 374.15255
SMILES: C[C@H](C(=O)NC1=C(C=C(C=C1)F)F)OC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: 1-[(1R,2R)-2-methylcyclohexyl]-3-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]thiourea
CAS Name: 1-[(1R,2R)-2-methylcyclohexyl]-3-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]thiourea
IUPAC NAME: 1-[(1R,2R)-2-methylcyclohexyl]-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]thiourea
SYSTEMATIC NAME: 1-[(1R,2R)-2-methylcyclohexyl]-3-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]thiourea
MOLECULAR FORMULA: C20H25N3O4S
MOLECULAR WEIGHT: 403.4952
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C
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Product OPENEYE NAME: N-(2-fluoro-4-methyl-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(2-fluoro-4-methylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(2-fluoro-4-methylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(2-fluoranyl-4-methyl-phenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C20H18FN3OS
MOLECULAR WEIGHT: 367.439823
SMILES: CC1=CC(=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3)F
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Product OPENEYE NAME: benzhydryl-[2-(2,4-dimethylanilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(2,4-dimethylanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-(2,4-dimethylanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C24H27N2O+
MOLECULAR WEIGHT: 359.48398
SMILES: CC1=CC(=C(C=C1)NC(=O)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3)C
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2,4-dimethylphenyl)acetamide
CAS Name: N-(2,4-dimethylphenyl)-2-[(diphenylmethyl)-methylamino]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2,4-dimethylphenyl)acetamide
SYSTEMATIC NAME: N-(2,4-dimethylphenyl)-2-[(diphenylmethyl)-methyl-amino]ethanamide
MOLECULAR FORMULA: C24H26N2O
MOLECULAR WEIGHT: 358.47604
SMILES: CC1=CC(=C(C=C1)NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[[(1R)-tetralin-1-yl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H23NO5
MOLECULAR WEIGHT: 405.44312
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@H](C)C(=O)N[C@@H]3CCCC4=CC=CC=C34
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Product OPENEYE NAME: (2S)-2-(4-bromo-2-fluoro-phenoxy)-N-(2,6-difluorophenyl)propanamide
CAS Name: (2S)-2-(4-bromo-2-fluorophenoxy)-N-(2,6-difluorophenyl)propanamide
IUPAC NAME: (2S)-2-(4-bromo-2-fluorophenoxy)-N-(2,6-difluorophenyl)propanamide
SYSTEMATIC NAME: (2S)-N-[2,6-bis(fluoranyl)phenyl]-2-(4-bromanyl-2-fluoranyl-phenoxy)propanamide
MOLECULAR FORMULA: C15H11BrF3NO2
MOLECULAR WEIGHT: 374.15255
SMILES: C[C@@H](C(=O)NC1=C(C=CC=C1F)F)OC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(2-phenylphenyl)acetamide
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)acetamide
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(2-phenylphenyl)ethanamide
MOLECULAR FORMULA: C25H21N3OS
MOLECULAR WEIGHT: 411.51874
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=CC=C3C4=CC=CC=C4
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Product OPENEYE NAME: (2R)-2-(4-bromo-2-fluoro-phenoxy)-N-(2,6-difluorophenyl)propanamide
CAS Name: (2R)-2-(4-bromo-2-fluorophenoxy)-N-(2,6-difluorophenyl)propanamide
IUPAC NAME: (2R)-2-(4-bromo-2-fluorophenoxy)-N-(2,6-difluorophenyl)propanamide
SYSTEMATIC NAME: (2R)-N-[2,6-bis(fluoranyl)phenyl]-2-(4-bromanyl-2-fluoranyl-phenoxy)propanamide
MOLECULAR FORMULA: C15H11BrF3NO2
MOLECULAR WEIGHT: 374.15255
SMILES: C[C@H](C(=O)NC1=C(C=CC=C1F)F)OC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: 1-[(1S,2R)-2-methylcyclohexyl]-3-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]thiourea
CAS Name: 1-[(1S,2R)-2-methylcyclohexyl]-3-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]thiourea
IUPAC NAME: 1-[(1S,2R)-2-methylcyclohexyl]-3-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]thiourea
SYSTEMATIC NAME: 1-[(1S,2R)-2-methylcyclohexyl]-3-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]thiourea
MOLECULAR FORMULA: C20H25N3O4S
MOLECULAR WEIGHT: 403.4952
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C
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Product OPENEYE NAME: benzhydryl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]ammonium
CAS Name: (diphenylmethyl)-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]ammonium
IUPAC NAME: benzhydryl-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
SYSTEMATIC NAME: (diphenylmethyl)-methyl-[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
MOLECULAR FORMULA: C24H27N2O+
MOLECULAR WEIGHT: 359.48398
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-[(1S)-1-phenylethyl]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-[(1S)-1-phenylethyl]acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-[(1S)-1-phenylethyl]ethanamide
MOLECULAR FORMULA: C24H26N2O
MOLECULAR WEIGHT: 358.47604
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[[(1S)-tetralin-1-yl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C24H23NO5
MOLECULAR WEIGHT: 405.44312
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)N[C@H]3CCCC4=CC=CC=C34
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