Sunday, November 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (4R,5S)-3-(3-fluorophenyl)-4-(2-hydroxy-3-methoxy-phenyl)-5-[(1R)-1-hydroxy-3-phenyl-propyl]oxazolidin-2-one
CAS Name: (4R,5S)-3-(3-fluorophenyl)-4-(2-hydroxy-3-methoxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-oxazolidinone
IUPAC NAME: (4R,5S)-3-(3-fluorophenyl)-4-(2-hydroxy-3-methoxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R,5S)-3-(3-fluorophenyl)-4-(3-methoxy-2-oxidanyl-phenyl)-5-[(1R)-1-oxidanyl-3-phenyl-propyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C25H24FNO5
MOLECULAR WEIGHT: 437.460163
SMILES: COC1=CC=CC(=C1O)[C@@H]2[C@H](OC(=O)N2C3=CC(=CC=C3)F)[C@@H](CCC4=CC=CC=C4)O
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Product OPENEYE NAME: (4R,5S)-3-(3-fluorophenyl)-4-(2-hydroxy-5-methoxy-phenyl)-5-[(1R)-1-hydroxy-3-phenyl-propyl]oxazolidin-2-one
CAS Name: (4R,5S)-3-(3-fluorophenyl)-4-(2-hydroxy-5-methoxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-oxazolidinone
IUPAC NAME: (4R,5S)-3-(3-fluorophenyl)-4-(2-hydroxy-5-methoxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R,5S)-3-(3-fluorophenyl)-4-(5-methoxy-2-oxidanyl-phenyl)-5-[(1R)-1-oxidanyl-3-phenyl-propyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C25H24FNO5
MOLECULAR WEIGHT: 437.460163
SMILES: COC1=CC(=C(C=C1)O)[C@@H]2[C@H](OC(=O)N2C3=CC(=CC=C3)F)[C@@H](CCC4=CC=CC=C4)O
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Product OPENEYE NAME: 3-[(Z)-1-(2,7-dimethyl-3-oxo-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]benzonitrile
CAS Name: 3-[(Z)-1-(2,7-dimethyl-3-oxo-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]benzonitrile
IUPAC NAME: 3-[(Z)-1-(2,7-dimethyl-3-oxo-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]benzonitrile
SYSTEMATIC NAME: 3-[(Z)-1-(2,7-dimethyl-3-oxidanylidene-1,2-benzoxazol-5-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-1-enyl]benzenecarbonitrile
MOLECULAR FORMULA: C23H20N4O3
MOLECULAR WEIGHT: 400.4299
SMILES: CC1=C2C(=CC(=C1)/C(=C\CCC3=NN=C(O3)C)/C4=CC=CC(=C4)C#N)C(=O)N(O2)C
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Product OPENEYE NAME: 1-[3-[[(1S,5R)-3-[[6-(trifluoromethyl)-2-quinolyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
CAS Name: 1-[3-[[(1S,5R)-3-[[6-(trifluoromethyl)-2-quinolinyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
IUPAC NAME: 1-[3-[[(1S,5R)-3-[[6-(trifluoromethyl)quinolin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
SYSTEMATIC NAME: 1-[3-[[(1S,5R)-3-[[6-(trifluoromethyl)quinolin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
MOLECULAR FORMULA: C28H33F3N4O
MOLECULAR WEIGHT: 498.58303
SMILES: CC(=O)N1C2CCCC1C=C(C2)CN3[C@@H]4CC[C@H]3CC(C4)NC5=NC6=C(C=C5)C=C(C=C6)C(F)(F)F
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Product OPENEYE NAME: 1-[3-[[(1S,5R)-3-[[6-(trifluoromethoxy)-2-quinolyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
CAS Name: 1-[3-[[(1S,5R)-3-[[6-(trifluoromethoxy)-2-quinolinyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
IUPAC NAME: 1-[3-[[(1S,5R)-3-[[6-(trifluoromethoxy)quinolin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
SYSTEMATIC NAME: 1-[3-[[(1S,5R)-3-[[6-(trifluoromethyloxy)quinolin-2-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
MOLECULAR FORMULA: C28H33F3N4O2
MOLECULAR WEIGHT: 514.58243
SMILES: CC(=O)N1C2CCCC1C=C(C2)CN3[C@@H]4CC[C@H]3CC(C4)NC5=NC6=C(C=C5)C=C(C=C6)OC(F)(F)F
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Product OPENEYE NAME: 1-[3-[[4-[(5-fluoro-7-isopropoxy-2-quinolyl)amino]-1-piperidyl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
CAS Name: 1-[3-[[4-[(5-fluoro-7-propan-2-yloxy-2-quinolinyl)amino]-1-piperidinyl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
IUPAC NAME: 1-[3-[[4-[(5-fluoro-7-propan-2-yloxyquinolin-2-yl)amino]piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
SYSTEMATIC NAME: 1-[3-[[4-[(5-fluoranyl-7-propan-2-yloxy-quinolin-2-yl)amino]piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
MOLECULAR FORMULA: C28H37FN4O2
MOLECULAR WEIGHT: 480.617383
SMILES: CC(C)OC1=CC(=C2C=CC(=NC2=C1)NC3CCN(CC3)CC4=CC5CCCC(C4)N5C(=O)C)F
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Product OPENEYE NAME: 1-[(1R)-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-1-methyl-propyl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
CAS Name: 1-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]butan-2-yl]-3-[3-(1-methyl-5-tetrazolyl)phenyl]urea
IUPAC NAME: 1-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
SYSTEMATIC NAME: 1-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]-3-[3-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]urea
MOLECULAR FORMULA: C25H32FN7O
MOLECULAR WEIGHT: 465.566283
SMILES: C[C@H](CCN1CCC[C@H](C1)CC2=CC=C(C=C2)F)NC(=O)NC3=CC=CC(=C3)C4=NN=NN4C
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Product OPENEYE NAME: 11-heptyl-6-[(4-methoxyphenyl)methyl]-11H-indeno[1,2-c]isoquinolin-5-one
CAS Name: 11-heptyl-6-[(4-methoxyphenyl)methyl]-11H-indeno[1,2-c]isoquinolin-5-one
IUPAC NAME: 11-heptyl-6-[(4-methoxyphenyl)methyl]-11H-indeno[1,2-c]isoquinolin-5-one
SYSTEMATIC NAME: 11-heptyl-6-[(4-methoxyphenyl)methyl]-11H-indeno[1,2-c]isoquinolin-5-one
MOLECULAR FORMULA: C31H33NO2
MOLECULAR WEIGHT: 451.59922
SMILES: CCCCCCCC1C2=CC=CC=C2C3=C1C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)OC
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Product OPENEYE NAME: 11-heptyl-11-hydroxy-6-[(4-methoxyphenyl)methyl]indeno[1,2-c]isoquinolin-5-one
CAS Name: 11-heptyl-11-hydroxy-6-[(4-methoxyphenyl)methyl]-5-indeno[1,2-c]isoquinolinone
IUPAC NAME: 11-heptyl-11-hydroxy-6-[(4-methoxyphenyl)methyl]indeno[1,2-c]isoquinolin-5-one
SYSTEMATIC NAME: 11-heptyl-6-[(4-methoxyphenyl)methyl]-11-oxidanyl-indeno[1,2-c]isoquinolin-5-one
MOLECULAR FORMULA: C31H33NO3
MOLECULAR WEIGHT: 467.59862
SMILES: CCCCCCCC1(C2=CC=CC=C2C3=C1C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)OC)O
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Product OPENEYE NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-isopropyl-imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CAS Name: N-[(1R)-1-[1-(4-cyanophenyl)-4-propan-2-yl-2-imidazolyl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-propan-2-ylimidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-propan-2-yl-imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoranyl-3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C28H30F4N4O3S
MOLECULAR WEIGHT: 578.621413
SMILES: CCS(=O)(=O)CCN([C@H](C)C1=NC(=CN1C2=CC=C(C=C2)C#N)C(C)C)C(=O)CC3=CC(=C(C=C3)F)C(F)(F)F
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Product OPENEYE NAME: (3S,4S)-N-[(1S,2R)-2-[(2R,4R)-4-benzyloxypyrrolidin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-1-butyl-4-ethyl-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3S,4S)-1-butyl-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxy-2-pyrrolidinyl]propan-2-yl]-4-ethyl-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3S,4S)-1-butyl-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-4-ethyl-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S,4S)-N-[(1R,2S)-3-[3,5-bis(fluoranyl)phenyl]-1-oxidanyl-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-1-butyl-4-ethyl-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C31H41F2N3O4
MOLECULAR WEIGHT: 557.671746
SMILES: CCCCN1C[C@H]([C@@H](C1=O)CC)C(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)[C@@H]([C@H]3C[C@H](CN3)OCC4=CC=CC=C4)O
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