Thursday, April 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(4-chloro-2,5-dimethoxy-phenyl)sulfonyl-3,4-dihydro-2H-quinoline
CAS Name: 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
IUPAC NAME: 1-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SYSTEMATIC NAME: 1-(4-chloranyl-2,5-dimethoxy-phenyl)sulfonyl-3,4-dihydro-2H-quinoline
MOLECULAR FORMULA: C17H18ClNO4S
MOLECULAR WEIGHT: 367.84712
SMILES: COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)N2CCCC3=CC=CC=C32
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,3-dimethyl-phenyl)sulfonyl-piperazine
CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
IUPAC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,3-dimethylphenyl)sulfonylpiperazine
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxy-2,3-dimethyl-phenyl)sulfonyl-piperazine
MOLECULAR FORMULA: C21H26N2O5S
MOLECULAR WEIGHT: 418.50654
SMILES: CC1=C(C=CC(=C1C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC
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Product OPENEYE NAME: 4-(4-ethoxy-2,3-dimethyl-phenyl)sulfonylmorpholine
CAS Name: 4-(4-ethoxy-2,3-dimethylphenyl)sulfonylmorpholine
IUPAC NAME: 4-(4-ethoxy-2,3-dimethylphenyl)sulfonylmorpholine
SYSTEMATIC NAME: 4-(4-ethoxy-2,3-dimethyl-phenyl)sulfonylmorpholine
MOLECULAR FORMULA: C14H21NO4S
MOLECULAR WEIGHT: 299.38584
SMILES: CCOC1=C(C(=C(C=C1)S(=O)(=O)N2CCOCC2)C)C
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Product OPENEYE NAME: 4-chloro-2,5-dimethoxy-N-(2-morpholinoethyl)benzenesulfonamide
CAS Name: 4-chloro-2,5-dimethoxy-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
IUPAC NAME: 4-chloro-2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
MOLECULAR FORMULA: C14H21ClN2O5S
MOLECULAR WEIGHT: 364.84494
SMILES: COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)NCCN2CCOCC2
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Product OPENEYE NAME: 6-methoxy-2-oxo-N-(2-phenylphenyl)chromene-3-carboxamide
CAS Name: 6-methoxy-2-oxo-N-(2-phenylphenyl)-1-benzopyran-3-carboxamide
IUPAC NAME: 6-methoxy-2-oxo-N-(2-phenylphenyl)chromene-3-carboxamide
SYSTEMATIC NAME: 6-methoxy-2-oxidanylidene-N-(2-phenylphenyl)chromene-3-carboxamide
MOLECULAR FORMULA: C23H17NO4
MOLECULAR WEIGHT: 371.38538
SMILES: COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4
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Product OPENEYE NAME: 1-(6-nitro-2-oxo-chromene-3-carbonyl)piperidine-4-carboxamide
CAS Name: 1-[(6-nitro-2-oxo-1-benzopyran-3-yl)-oxomethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-(6-nitro-2-oxochromene-3-carbonyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(6-nitro-2-oxidanylidene-chromen-3-yl)carbonylpiperidine-4-carboxamide
MOLECULAR FORMULA: C16H15N3O6
MOLECULAR WEIGHT: 345.3068
SMILES: C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O
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Product OPENEYE NAME: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] quinoline-2-carboxylate
CAS Name: 2-quinolinecarboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate
SYSTEMATIC NAME: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate
MOLECULAR FORMULA: C20H17NO5
MOLECULAR WEIGHT: 351.35268
SMILES: COC1=C(C=C(C=C1)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2)OC
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Product OPENEYE NAME: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 2-methylquinoline-4-carboxylate
CAS Name: 2-methyl-4-quinolinecarboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SYSTEMATIC NAME: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-methylquinoline-4-carboxylate
MOLECULAR FORMULA: C21H19NO5
MOLECULAR WEIGHT: 365.37926
SMILES: CC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: [2-(3,4-dimethoxyphenyl)-2-oxo-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CAS Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(3,4-dimethoxyphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(3,4-dimethoxyphenyl)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
SYSTEMATIC NAME: [2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
MOLECULAR FORMULA: C24H23NO5
MOLECULAR WEIGHT: 405.44312
SMILES: COC1=C(C=C(C=C1)C(=O)COC(=O)C2=C3CCCCC3=NC4=CC=CC=C42)OC
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Product OPENEYE NAME: 3-(indoline-1-carbonyl)-6-nitro-chromen-2-one
CAS Name: 3-[2,3-dihydroindol-1-yl(oxo)methyl]-6-nitro-1-benzopyran-2-one
IUPAC NAME: 3-(2,3-dihydroindole-1-carbonyl)-6-nitrochromen-2-one
SYSTEMATIC NAME: 3-(2,3-dihydroindol-1-ylcarbonyl)-6-nitro-chromen-2-one
MOLECULAR FORMULA: C18H12N2O5
MOLECULAR WEIGHT: 336.29828
SMILES: C1CN(C2=CC=CC=C21)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O
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Product OPENEYE NAME: 1-(8-methoxy-2-oxo-chromene-3-carbonyl)piperidine-4-carboxamide
CAS Name: 1-[(8-methoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]-4-piperidinecarboxamide
IUPAC NAME: 1-(8-methoxy-2-oxochromene-3-carbonyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(8-methoxy-2-oxidanylidene-chromen-3-yl)carbonylpiperidine-4-carboxamide
MOLECULAR FORMULA: C17H18N2O5
MOLECULAR WEIGHT: 330.33522
SMILES: COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCC(CC3)C(=O)N
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Product OPENEYE NAME: 6-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CAS Name: 6-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]-1-benzopyran-3-carboxamide
IUPAC NAME: 6-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
SYSTEMATIC NAME: 6-methoxy-2-oxidanylidene-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
MOLECULAR FORMULA: C18H12F3NO4
MOLECULAR WEIGHT: 363.28739
SMILES: COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NC3=CC=CC=C3C(F)(F)F
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Product OPENEYE NAME: 6-nitro-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CAS Name: 6-nitro-2-oxo-N-[2-(trifluoromethyl)phenyl]-1-benzopyran-3-carboxamide
IUPAC NAME: 6-nitro-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
SYSTEMATIC NAME: 6-nitro-2-oxidanylidene-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
MOLECULAR FORMULA: C17H9F3N2O5
MOLECULAR WEIGHT: 378.25897
SMILES: C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O
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Product OPENEYE NAME: 8-methoxy-6-nitro-2-oxo-N-[(1R)-1-phenylethyl]chromene-3-carboxamide
CAS Name: 8-methoxy-6-nitro-2-oxo-N-[(1R)-1-phenylethyl]-1-benzopyran-3-carboxamide
IUPAC NAME: 8-methoxy-6-nitro-2-oxo-N-[(1R)-1-phenylethyl]chromene-3-carboxamide
SYSTEMATIC NAME: 8-methoxy-6-nitro-2-oxidanylidene-N-[(1R)-1-phenylethyl]chromene-3-carboxamide
MOLECULAR FORMULA: C19H16N2O6
MOLECULAR WEIGHT: 368.34014
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-]
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Product OPENEYE NAME: 8-methoxy-6-nitro-2-oxo-N-[(1S)-1-phenylethyl]chromene-3-carboxamide
CAS Name: 8-methoxy-6-nitro-2-oxo-N-[(1S)-1-phenylethyl]-1-benzopyran-3-carboxamide
IUPAC NAME: 8-methoxy-6-nitro-2-oxo-N-[(1S)-1-phenylethyl]chromene-3-carboxamide
SYSTEMATIC NAME: 8-methoxy-6-nitro-2-oxidanylidene-N-[(1S)-1-phenylethyl]chromene-3-carboxamide
MOLECULAR FORMULA: C19H16N2O6
MOLECULAR WEIGHT: 368.34014
SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-]
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Product OPENEYE NAME: [2-(2-naphthyl)-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate
CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-(2-naphthalenyl)-2-oxoethyl] ester
IUPAC NAME: (2-naphthalen-2-yl-2-oxoethyl) 3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C23H19NO3
MOLECULAR WEIGHT: 357.40186
SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)COC(=O)CCC3=CNC4=CC=CC=C43
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