Wednesday, April 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-3-carbaldehyde
CAS Name: 2,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-3-pyrrolecarboxaldehyde
IUPAC NAME: 2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carbaldehyde
SYSTEMATIC NAME: 2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC1=CC(=C(N1C[C@H]2CCCO2)C)C=O
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Product OPENEYE NAME: 2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-3-carbaldehyde
CAS Name: 2,5-dimethyl-1-[[(2S)-2-oxolanyl]methyl]-3-pyrrolecarboxaldehyde
IUPAC NAME: 2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrole-3-carbaldehyde
SYSTEMATIC NAME: 2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC1=CC(=C(N1C[C@@H]2CCCO2)C)C=O
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Product OPENEYE NAME: 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone
CAS Name: 1-[1-[(4-fluorophenyl)methyl]-3-indolyl]ethanone
IUPAC NAME: 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone
SYSTEMATIC NAME: 1-[1-[(4-fluorophenyl)methyl]indol-3-yl]ethanone
MOLECULAR FORMULA: C17H14FNO
MOLECULAR WEIGHT: 267.297563
SMILES: CC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(trifluoromethyl)-1-benzimidazolyl]ethanone
IUPAC NAME: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
SYSTEMATIC NAME: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
MOLECULAR FORMULA: C19H16F3N3O
MOLECULAR WEIGHT: 359.34505
SMILES: C1CN(CC2=CC=CC=C21)C(=O)CN3C4=CC=CC=C4N=C3C(F)(F)F
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Product OPENEYE NAME: methyl 1-[2-(2-chloroanilino)-2-oxo-ethyl]indole-3-carboxylate
CAS Name: 1-[2-(2-chloroanilino)-2-oxoethyl]-3-indolecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-chloroanilino)-2-oxoethyl]indole-3-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]indole-3-carboxylate
MOLECULAR FORMULA: C18H15ClN2O3
MOLECULAR WEIGHT: 342.7763
SMILES: COC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3=CC=CC=C3Cl
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Product OPENEYE NAME: N-benzyl-4-(2-morpholino-2-oxo-ethoxy)benzenesulfonamide
CAS Name: 4-[2-(4-morpholinyl)-2-oxoethoxy]-N-(phenylmethyl)benzenesulfonamide
IUPAC NAME: N-benzyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
SYSTEMATIC NAME: 4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)-N-(phenylmethyl)benzenesulfonamide
MOLECULAR FORMULA: C19H22N2O5S
MOLECULAR WEIGHT: 390.45338
SMILES: C1COCCN1C(=O)COC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H20N2O3
MOLECULAR WEIGHT: 360.4058
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCC(=O)NC4=CC=CC5=CC=CC=C54
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Product OPENEYE NAME: 2-[4-(benzylsulfamoyl)phenoxy]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide
CAS Name: N-[[(2R)-2-oxolanyl]methyl]-2-[4-[(phenylmethyl)sulfamoyl]phenoxy]acetamide
IUPAC NAME: 2-[4-(benzylsulfamoyl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SYSTEMATIC NAME: N-[[(2R)-oxolan-2-yl]methyl]-2-[4-[(phenylmethyl)sulfamoyl]phenoxy]ethanamide
MOLECULAR FORMULA: C20H24N2O5S
MOLECULAR WEIGHT: 404.47996
SMILES: C1C[C@@H](OC1)CNC(=O)COC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: 2-[4-(benzylsulfamoyl)phenoxy]-N-[[(2S)-tetrahydrofuran-2-yl]methyl]acetamide
CAS Name: N-[[(2S)-2-oxolanyl]methyl]-2-[4-[(phenylmethyl)sulfamoyl]phenoxy]acetamide
IUPAC NAME: 2-[4-(benzylsulfamoyl)phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SYSTEMATIC NAME: N-[[(2S)-oxolan-2-yl]methyl]-2-[4-[(phenylmethyl)sulfamoyl]phenoxy]ethanamide
MOLECULAR FORMULA: C20H24N2O5S
MOLECULAR WEIGHT: 404.47996
SMILES: C1C[C@H](OC1)CNC(=O)COC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: 2-(3-acetylindol-1-yl)-1-morpholino-ethanone
CAS Name: 2-(3-acetyl-1-indolyl)-1-(4-morpholinyl)ethanone
IUPAC NAME: 2-(3-acetylindol-1-yl)-1-morpholin-4-ylethanone
SYSTEMATIC NAME: 2-(3-ethanoylindol-1-yl)-1-morpholin-4-yl-ethanone
MOLECULAR FORMULA: C16H18N2O3
MOLECULAR WEIGHT: 286.32572
SMILES: CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)N3CCOCC3
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Product OPENEYE NAME: 2-(3-acetylindol-1-yl)-N-(2,6-dimethylphenyl)acetamide
CAS Name: 2-(3-acetyl-1-indolyl)-N-(2,6-dimethylphenyl)acetamide
IUPAC NAME: 2-(3-acetylindol-1-yl)-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-(3-ethanoylindol-1-yl)ethanamide
MOLECULAR FORMULA: C20H20N2O2
MOLECULAR WEIGHT: 320.385
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C
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Product OPENEYE NAME: N-[4-[(5-chloro-2-methoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide
CAS Name: N-[4-[(5-chloro-2-methoxyanilino)-oxomethyl]phenyl]-2-furancarboxamide
IUPAC NAME: N-[4-[(5-chloro-2-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[4-[(5-chloranyl-2-methoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide
MOLECULAR FORMULA: C19H15ClN2O4
MOLECULAR WEIGHT: 370.7864
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]acetamide
CAS Name: N-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]acetamide
IUPAC NAME: N-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]ethanamide
MOLECULAR FORMULA: C20H20N2O5
MOLECULAR WEIGHT: 368.3832
SMILES: CC(=O)N([C@H]1CC(=O)N(C1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-(4-methoxyphenyl)-N-[(3R)-1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]acetamide
CAS Name: N-(4-methoxyphenyl)-N-[(3R)-1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]acetamide
IUPAC NAME: N-(4-methoxyphenyl)-N-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SYSTEMATIC NAME: N-(4-methoxyphenyl)-N-[(3R)-1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]ethanamide
MOLECULAR FORMULA: C20H20N2O5
MOLECULAR WEIGHT: 368.3832
SMILES: CC(=O)N([C@@H]1CC(=O)N(C1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 2-(3-acetylindol-1-yl)-N-cycloheptyl-acetamide
CAS Name: 2-(3-acetyl-1-indolyl)-N-cycloheptylacetamide
IUPAC NAME: 2-(3-acetylindol-1-yl)-N-cycloheptylacetamide
SYSTEMATIC NAME: N-cycloheptyl-2-(3-ethanoylindol-1-yl)ethanamide
MOLECULAR FORMULA: C19H24N2O2
MOLECULAR WEIGHT: 312.40606
SMILES: CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NC3CCCCCC3
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Product OPENEYE NAME: 2-(3-acetylindol-1-yl)-N-(4-ethoxyphenyl)acetamide
CAS Name: 2-(3-acetyl-1-indolyl)-N-(4-ethoxyphenyl)acetamide
IUPAC NAME: 2-(3-acetylindol-1-yl)-N-(4-ethoxyphenyl)acetamide
SYSTEMATIC NAME: 2-(3-ethanoylindol-1-yl)-N-(4-ethoxyphenyl)ethanamide
MOLECULAR FORMULA: C20H20N2O3
MOLECULAR WEIGHT: 336.3844
SMILES: CCOC1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)C
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Product OPENEYE NAME: N-benzyl-4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)benzenesulfonamide
CAS Name: 4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]-N-(phenylmethyl)benzenesulfonamide
IUPAC NAME: N-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
SYSTEMATIC NAME: 4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)-N-(phenylmethyl)benzenesulfonamide
MOLECULAR FORMULA: C19H22N2O4S
MOLECULAR WEIGHT: 374.45398
SMILES: C1CCN(C1)C(=O)COC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3
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Product OPENEYE NAME: 2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide
CAS Name: 2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide
IUPAC NAME: 2-[[4-amino-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide
SYSTEMATIC NAME: 2-[[4-azanyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide
MOLECULAR FORMULA: C16H23N5O2S
MOLECULAR WEIGHT: 349.45112
SMILES: CCN(CC)C(=O)CSC1=NN=C(N1N)COC2=CC=C(C=C2)C
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Product OPENEYE NAME: methyl 1-[2-(2-methylanilino)-2-oxo-ethyl]indole-3-carboxylate
CAS Name: 1-[2-(2-methylanilino)-2-oxoethyl]-3-indolecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(2-methylanilino)-2-oxoethyl]indole-3-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]indole-3-carboxylate
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: CC1=CC=CC=C1NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)OC
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Product OPENEYE NAME: 2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-chlorophenyl)acetamide
CAS Name: 2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-chlorophenyl)acetamide
IUPAC NAME: 2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-chlorophenyl)acetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-2,4-dihydroquinoxalin-2-yl]ethanamide
MOLECULAR FORMULA: C18H16ClN3O3
MOLECULAR WEIGHT: 357.79094
SMILES: CC(=O)N1[C@@H](C(=O)NC2=CC=CC=C21)CC(=O)NC3=CC=CC=C3Cl
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Product OPENEYE NAME: 2-[(2S)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-chlorophenyl)acetamide
CAS Name: 2-[(2S)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-chlorophenyl)acetamide
IUPAC NAME: 2-[(2S)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-chlorophenyl)acetamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-2-[(2S)-1-ethanoyl-3-oxidanylidene-2,4-dihydroquinoxalin-2-yl]ethanamide
MOLECULAR FORMULA: C18H16ClN3O3
MOLECULAR WEIGHT: 357.79094
SMILES: CC(=O)N1[C@H](C(=O)NC2=CC=CC=C21)CC(=O)NC3=CC=CC=C3Cl
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Product OPENEYE NAME: 7-ethyl-1-(2-oxo-2-pyrrolidin-1-yl-ethyl)indole-3-carbonitrile
CAS Name: 7-ethyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-indolecarbonitrile
IUPAC NAME: 7-ethyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)indole-3-carbonitrile
SYSTEMATIC NAME: 7-ethyl-1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)indole-3-carbonitrile
MOLECULAR FORMULA: C17H19N3O
MOLECULAR WEIGHT: 281.35226
SMILES: CCC1=CC=CC2=C1N(C=C2C#N)CC(=O)N3CCCC3
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Product OPENEYE NAME: N-cyclopropyl-1-methyl-benzotriazole-5-carboxamide
CAS Name: N-cyclopropyl-1-methyl-5-benzotriazolecarboxamide
IUPAC NAME: N-cyclopropyl-1-methylbenzotriazole-5-carboxamide
SYSTEMATIC NAME: N-cyclopropyl-1-methyl-benzotriazole-5-carboxamide
MOLECULAR FORMULA: C11H12N4O
MOLECULAR WEIGHT: 216.23918
SMILES: CN1C2=C(C=C(C=C2)C(=O)NC3CC3)N=N1
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Product OPENEYE NAME: 4-[(3-acetylindol-1-yl)methyl]benzonitrile
CAS Name: 4-[(3-acetyl-1-indolyl)methyl]benzonitrile
IUPAC NAME: 4-[(3-acetylindol-1-yl)methyl]benzonitrile
SYSTEMATIC NAME: 4-[(3-ethanoylindol-1-yl)methyl]benzenecarbonitrile
MOLECULAR FORMULA: C18H14N2O
MOLECULAR WEIGHT: 274.31656
SMILES: CC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N
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