Tuesday, January 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-morpholino-2-phenyl-butanamide
CAS Name: N-(4-morpholinyl)-2-phenylbutanamide
IUPAC NAME: N-morpholin-4-yl-2-phenylbutanamide
SYSTEMATIC NAME: N-morpholin-4-yl-2-phenyl-butanamide
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CCC(C1=CC=CC=C1)C(=O)NN2CCOCC2
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Product OPENEYE NAME: N-(3,3-diphenylpropyl)-3-phenyl-propanamide
CAS Name: N-(3,3-diphenylpropyl)-3-phenylpropanamide
IUPAC NAME: N-(3,3-diphenylpropyl)-3-phenylpropanamide
SYSTEMATIC NAME: N-(3,3-diphenylpropyl)-3-phenyl-propanamide
MOLECULAR FORMULA: C24H25NO
MOLECULAR WEIGHT: 343.4614
SMILES: C1=CC=C(C=C1)CCC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[1-(2-thienyl)ethylideneamino]undecanamide
CAS Name: N-(1-thiophen-2-ylethylideneamino)undecanamide
IUPAC NAME: N-(1-thiophen-2-ylethylideneamino)undecanamide
SYSTEMATIC NAME: N-(1-thiophen-2-ylethylideneamino)undecanamide
MOLECULAR FORMULA: C17H28N2OS
MOLECULAR WEIGHT: 308.48202
SMILES: CCCCCCCCCCC(=O)NN=C(C)C1=CC=CS1
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Product OPENEYE NAME: cyclopentyl-(2,6-dimethyl-1-piperidyl)methanone
CAS Name: cyclopentyl-(2,6-dimethyl-1-piperidinyl)methanone
IUPAC NAME: cyclopentyl-(2,6-dimethylpiperidin-1-yl)methanone
SYSTEMATIC NAME: cyclopentyl-(2,6-dimethylpiperidin-1-yl)methanone
MOLECULAR FORMULA: C13H23NO
MOLECULAR WEIGHT: 209.32782
SMILES: CC1CCCC(N1C(=O)C2CCCC2)C
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Product OPENEYE NAME: N-(2-methylpropylideneamino)nonanamide
CAS Name: N-(2-methylpropylideneamino)nonanamide
IUPAC NAME: N-(2-methylpropylideneamino)nonanamide
SYSTEMATIC NAME: N-(2-methylpropylideneamino)nonanamide
MOLECULAR FORMULA: C13H26N2O
MOLECULAR WEIGHT: 226.35834
SMILES: CCCCCCCCC(=O)NN=CC(C)C
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Product OPENEYE NAME: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(p-tolyl)-4-quinolyl]methanone
CAS Name: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methylphenyl)-4-quinolinyl]methanone
IUPAC NAME: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
SYSTEMATIC NAME: (6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
MOLECULAR FORMULA: C27H23FN2O
MOLECULAR WEIGHT: 410.482723
SMILES: CC1CCC2=C(N1C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C)C=CC(=C2)F
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Product OPENEYE NAME: 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide
CAS Name: 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide
IUPAC NAME: 9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide
SYSTEMATIC NAME: 9-chloranyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)-N-(3-fluorophenyl)nonanamide
MOLECULAR FORMULA: C15H5ClF17NO
MOLECULAR WEIGHT: 573.632154
SMILES: C1=CC(=CC(=C1)F)NC(=O)C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 4-ethyl-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxamide
CAS Name: 4-ethyl-5-methyl-2-[(3-methyl-1-oxobutyl)amino]-3-thiophenecarboxamide
IUPAC NAME: 4-ethyl-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxamide
SYSTEMATIC NAME: 4-ethyl-5-methyl-2-(3-methylbutanoylamino)thiophene-3-carboxamide
MOLECULAR FORMULA: C13H20N2O2S
MOLECULAR WEIGHT: 268.3751
SMILES: CCC1=C(SC(=C1C(=O)N)NC(=O)CC(C)C)C
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Product OPENEYE NAME: 4-chloro-N-(9,10-dioxo-1-anthryl)benzamide
CAS Name: 4-chloro-N-(9,10-dioxo-1-anthracenyl)benzamide
IUPAC NAME: 4-chloro-N-(9,10-dioxoanthracen-1-yl)benzamide
SYSTEMATIC NAME: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-4-chloranyl-benzamide
MOLECULAR FORMULA: C21H12ClNO3
MOLECULAR WEIGHT: 361.77788
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: methyl 4-cyano-3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2-carboxylate
CAS Name: 4-cyano-3-methyl-5-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-cyano-3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 4-cyano-3-methyl-5-[(2-oxidanylidenechromen-3-yl)carbonylamino]thiophene-2-carboxylate
MOLECULAR FORMULA: C18H12N2O5S
MOLECULAR WEIGHT: 368.36328
SMILES: CC1=C(SC(=C1C#N)NC(=O)C2=CC3=CC=CC=C3OC2=O)C(=O)OC
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Product OPENEYE NAME: 2-ethyl-N-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]-N-(2-morpholinoethyl)hexanamide
CAS Name: 2-ethyl-N-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-N-[2-(4-morpholinyl)ethyl]hexanamide
IUPAC NAME: 2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)hexanamide
SYSTEMATIC NAME: 2-ethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-(2-morpholin-4-ylethyl)hexanamide
MOLECULAR FORMULA: C20H34N4O4
MOLECULAR WEIGHT: 394.50836
SMILES: CCCCC(CC)C(=O)N(CCN1CCOCC1)CC(=O)NC2=NOC(=C2)C
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Product OPENEYE NAME: 3-fluoro-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxo-ethyl]-N-isobutyl-benzamide
CAS Name: 3-fluoro-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
IUPAC NAME: 3-fluoro-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
SYSTEMATIC NAME: 3-fluoranyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)benzamide
MOLECULAR FORMULA: C31H34FN3O3
MOLECULAR WEIGHT: 515.618363
SMILES: CC(C)CN(CC(=O)N(CCC1=CNC2=CC=CC=C21)CC3=CC=C(C=C3)OC)C(=O)C4=CC(=CC=C4)F
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Product OPENEYE NAME: N-[2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-imidazolidin-1-yl]-2-oxo-ethyl]-N-isobutyl-3,3-dimethyl-butanamide
CAS Name: N-[2-[3-(3-chloro-2-methylphenyl)-4-oxo-1-imidazolidinyl]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
IUPAC NAME: N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
SYSTEMATIC NAME: N-[2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-imidazolidin-1-yl]-2-oxidanylidene-ethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
MOLECULAR FORMULA: C22H32ClN3O3
MOLECULAR WEIGHT: 421.96078
SMILES: CC1=C(C=CC=C1Cl)N2CN(CC2=O)C(=O)CN(CC(C)C)C(=O)CC(C)(C)C
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Product OPENEYE NAME: 3-[2-(4-fluorophenyl)-2-oxo-ethyl]-7-nitro-1H-quinoxalin-2-one
CAS Name: 3-[2-(4-fluorophenyl)-2-oxoethyl]-7-nitro-1H-quinoxalin-2-one
IUPAC NAME: 3-[2-(4-fluorophenyl)-2-oxoethyl]-7-nitro-1H-quinoxalin-2-one
SYSTEMATIC NAME: 3-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]-7-nitro-1H-quinoxalin-2-one
MOLECULAR FORMULA: C16H10FN3O4
MOLECULAR WEIGHT: 327.266703
SMILES: C1=CC(=CC=C1C(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)F
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Product OPENEYE NAME: 6-(4-ethoxyphenyl)imidazo[2,1-b]thiazole
CAS Name: 6-(4-ethoxyphenyl)imidazo[2,1-b]thiazole
IUPAC NAME: 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazole
SYSTEMATIC NAME: 6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazole
MOLECULAR FORMULA: C13H12N2OS
MOLECULAR WEIGHT: 244.31218
SMILES: CCOC1=CC=C(C=C1)C2=CN3C=CSC3=N2
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Product OPENEYE NAME: N-(2,3-dimethylcyclohexyl)-3,4-difluoro-benzenesulfonamide
CAS Name: N-(2,3-dimethylcyclohexyl)-3,4-difluorobenzenesulfonamide
IUPAC NAME: N-(2,3-dimethylcyclohexyl)-3,4-difluorobenzenesulfonamide
SYSTEMATIC NAME: N-(2,3-dimethylcyclohexyl)-3,4-bis(fluoranyl)benzenesulfonamide
MOLECULAR FORMULA: C14H19F2NO2S
MOLECULAR WEIGHT: 303.367966
SMILES: CC1CCCC(C1C)NS(=O)(=O)C2=CC(=C(C=C2)F)F
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Product OPENEYE NAME: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 4-acetamidobenzoate
CAS Name: 4-acetamidobenzoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-acetamidobenzoate
SYSTEMATIC NAME: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate
MOLECULAR FORMULA: C19H24N2O4
MOLECULAR WEIGHT: 344.40486
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CCCCC2
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Product OPENEYE NAME: 5-(4-acetamidophenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoic acid
CAS Name: 5-(4-acetamidophenyl)-4-(1,3-benzothiazol-2-yl)-4-pentenoic acid
IUPAC NAME: 5-(4-acetamidophenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoic acid
SYSTEMATIC NAME: 5-(4-acetamidophenyl)-4-(1,3-benzothiazol-2-yl)pent-4-enoic acid
MOLECULAR FORMULA: C20H18N2O3S
MOLECULAR WEIGHT: 366.43352
SMILES: CC(=O)NC1=CC=C(C=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2
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Product OPENEYE NAME: 2-[1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)vinyl]-1,3-benzothiazole
CAS Name: 2-[1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole
IUPAC NAME: 2-[1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole
SYSTEMATIC NAME: 2-[1-(1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole
MOLECULAR FORMULA: C22H13ClN2S2
MOLECULAR WEIGHT: 404.93502
SMILES: C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)Cl)C4=NC5=CC=CC=C5S4
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