Sunday, November 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (4R,5S)-3-(3-fluorophenyl)-4-(2-hydroxy-4-methoxy-phenyl)-5-[(1R)-1-hydroxy-3-phenyl-propyl]oxazolidin-2-one
CAS Name: (4R,5S)-3-(3-fluorophenyl)-4-(2-hydroxy-4-methoxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-oxazolidinone
IUPAC NAME: (4R,5S)-3-(3-fluorophenyl)-4-(2-hydroxy-4-methoxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R,5S)-3-(3-fluorophenyl)-4-(4-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)[C@@H]2[C@H](OC(=O)N2C3=CC(=CC=C3)F)[C@@H](CCC4=CC=CC=C4)O)O
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Product OPENEYE NAME: 1-[3-[[4-[(7-isopropoxy-2-quinolyl)amino]-1-piperidyl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
CAS Name: 1-[3-[[4-[(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-[(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-[(7-propan-2-yloxyquinolin-2-yl)amino]piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
MOLECULAR FORMULA: C28H38N4O2
MOLECULAR WEIGHT: 462.62692
SMILES: CC(C)OC1=CC2=C(C=C1)C=CC(=N2)NC3CCN(CC3)CC4=CC5CCCC(C4)N5C(=O)C
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Product OPENEYE NAME: 1-[3-[[4-[(5-fluoro-7-methoxy-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-methoxy-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-methoxyquinolin-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-methoxy-quinolin-2-yl)amino]piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
MOLECULAR FORMULA: C26H33FN4O2
MOLECULAR WEIGHT: 452.564223
SMILES: CC(=O)N1C2CCCC1C=C(C2)CN3CCC(CC3)NC4=NC5=CC(=CC(=C5C=C4)F)OC
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Product OPENEYE NAME: 1-[3,5-bis(triazol-1-yl)phenyl]-3-[(1R)-3-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidyl]-1-methyl-propyl]urea
CAS Name: 1-[3,5-bis(1-triazolyl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]-1-piperidinyl]butan-2-yl]urea
IUPAC NAME: 1-[3,5-bis(triazol-1-yl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
SYSTEMATIC NAME: 1-[3,5-bis(1,2,3-triazol-1-yl)phenyl]-3-[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]urea
MOLECULAR FORMULA: C27H32FN9O
MOLECULAR WEIGHT: 517.601083
SMILES: C[C@H](CCN1CCC[C@H](C1)CC2=CC=C(C=C2)F)NC(=O)NC3=CC(=CC(=C3)N4C=CN=N4)N5C=CN=N5
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Product OPENEYE NAME: 1-[3-[[4-[[7-(trifluoromethyl)-2-quinolyl]amino]-1-piperidyl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
CAS Name: 1-[3-[[4-[[7-(trifluoromethyl)-2-quinolinyl]amino]-1-piperidinyl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
IUPAC NAME: 1-[3-[[4-[[7-(trifluoromethyl)quinolin-2-yl]amino]piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
SYSTEMATIC NAME: 1-[3-[[4-[[7-(trifluoromethyl)quinolin-2-yl]amino]piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-3-en-9-yl]ethanone
MOLECULAR FORMULA: C26H31F3N4O
MOLECULAR WEIGHT: 472.54575
SMILES: CC(=O)N1C2CCCC1C=C(C2)CN3CCC(CC3)NC4=NC5=C(C=CC(=C5)C(F)(F)F)C=C4
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Product OPENEYE NAME: (6-benzyl-5-oxo-11H-indeno[1,2-c]isoquinolin-11-yl) acetate
CAS Name: acetic acid [5-oxo-6-(phenylmethyl)-11H-indeno[1,2-c]isoquinolin-11-yl] ester
IUPAC NAME: (6-benzyl-5-oxo-11H-indeno[1,2-c]isoquinolin-11-yl) acetate
SYSTEMATIC NAME: [5-oxidanylidene-6-(phenylmethyl)-11H-indeno[1,2-c]isoquinolin-11-yl] ethanoate
MOLECULAR FORMULA: C25H19NO3
MOLECULAR WEIGHT: 381.42326
SMILES: CC(=O)OC1C2=CC=CC=C2C3=C1C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5
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Product OPENEYE NAME: 11-hydroxy-6-[(4-methoxyphenyl)methyl]-11-methyl-indeno[1,2-c]isoquinolin-5-one
CAS Name: 11-hydroxy-6-[(4-methoxyphenyl)methyl]-11-methyl-5-indeno[1,2-c]isoquinolinone
IUPAC NAME: 11-hydroxy-6-[(4-methoxyphenyl)methyl]-11-methylindeno[1,2-c]isoquinolin-5-one
SYSTEMATIC NAME: 6-[(4-methoxyphenyl)methyl]-11-methyl-11-oxidanyl-indeno[1,2-c]isoquinolin-5-one
MOLECULAR FORMULA: C25H21NO3
MOLECULAR WEIGHT: 383.43914
SMILES: CC1(C2=CC=CC=C2C3=C1C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)OC)O
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Product OPENEYE NAME: 11-ethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-5-one
CAS Name: 11-ethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-5-one
IUPAC NAME: 11-ethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-5-one
SYSTEMATIC NAME: 11-ethoxy-6-methyl-11H-indeno[1,2-c]isoquinolin-5-one
MOLECULAR FORMULA: C19H17NO2
MOLECULAR WEIGHT: 291.34378
SMILES: CCOC1C2=CC=CC=C2C3=C1C4=CC=CC=C4C(=O)N3C
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Product OPENEYE NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CAS Name: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-2-imidazolyl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropylimidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: N-[(1R)-1-[1-(4-cyanophenyl)-4-cyclopropyl-imidazol-2-yl]ethyl]-N-(2-ethylsulfonylethyl)-2-[4-fluoranyl-3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C28H28F4N4O3S
MOLECULAR WEIGHT: 576.605533
SMILES: CCS(=O)(=O)CCN([C@H](C)C1=NC(=CN1C2=CC=C(C=C2)C#N)C3CC3)C(=O)CC4=CC(=C(C=C4)F)C(F)(F)F
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Product OPENEYE NAME: 11-methoxy-6-[(4-methoxyphenyl)methyl]-11H-indeno[1,2-c]isoquinolin-5-one
CAS Name: 11-methoxy-6-[(4-methoxyphenyl)methyl]-11H-indeno[1,2-c]isoquinolin-5-one
IUPAC NAME: 11-methoxy-6-[(4-methoxyphenyl)methyl]-11H-indeno[1,2-c]isoquinolin-5-one
SYSTEMATIC NAME: 11-methoxy-6-[(4-methoxyphenyl)methyl]-11H-indeno[1,2-c]isoquinolin-5-one
MOLECULAR FORMULA: C25H21NO3
MOLECULAR WEIGHT: 383.43914
SMILES: COC1C2=CC=CC=C2C3=C1C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)OC
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Product OPENEYE NAME: (3S)-N-[(1S,2R)-2-[(2R,4R)-4-benzyloxypyrrolidin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-5-oxo-1-(2-thienylmethyl)pyrrolidine-3-carboxamide
CAS Name: (3S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxy-2-pyrrolidinyl]propan-2-yl]-5-oxo-1-(thiophen-2-ylmethyl)-3-pyrrolidinecarboxamide
IUPAC NAME: (3S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[(1R,2S)-3-[3,5-bis(fluoranyl)phenyl]-1-oxidanyl-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-5-oxidanylidene-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C30H33F2N3O4S
MOLECULAR WEIGHT: 569.662526
SMILES: C1[C@H](CN[C@H]1[C@H]([C@H](CC2=CC(=CC(=C2)F)F)NC(=O)[C@H]3CC(=O)N(C3)CC4=CC=CS4)O)OCC5=CC=CC=C5
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