Sunday, June 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CAS Name: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2,5-dioxo-1-pyrrolidinyl)acetamide
IUPAC NAME: N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SYSTEMATIC NAME: 2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]ethanamide
MOLECULAR FORMULA: C15H19N3O5S
MOLECULAR WEIGHT: 353.39346
SMILES: CN(C)S(=O)(=O)C1=CC=CC=C1CNC(=O)CN2C(=O)CCC2=O
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Product OPENEYE NAME: 2-(3-chloro-4-fluoro-phenoxy)-N-[(S)-cyclopropyl(phenyl)methyl]acetamide
CAS Name: 2-(3-chloro-4-fluorophenoxy)-N-[(S)-cyclopropyl(phenyl)methyl]acetamide
IUPAC NAME: 2-(3-chloro-4-fluorophenoxy)-N-[(S)-cyclopropyl(phenyl)methyl]acetamide
SYSTEMATIC NAME: 2-(3-chloranyl-4-fluoranyl-phenoxy)-N-[(S)-cyclopropyl(phenyl)methyl]ethanamide
MOLECULAR FORMULA: C18H17ClFNO2
MOLECULAR WEIGHT: 333.784483
SMILES: C1CC1[C@@H](C2=CC=CC=C2)NC(=O)COC3=CC(=C(C=C3)F)Cl
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Product OPENEYE NAME: 2-(3-chloro-4-fluoro-phenoxy)-N-[(R)-cyclopropyl(phenyl)methyl]acetamide
CAS Name: 2-(3-chloro-4-fluorophenoxy)-N-[(R)-cyclopropyl(phenyl)methyl]acetamide
IUPAC NAME: 2-(3-chloro-4-fluorophenoxy)-N-[(R)-cyclopropyl(phenyl)methyl]acetamide
SYSTEMATIC NAME: 2-(3-chloranyl-4-fluoranyl-phenoxy)-N-[(R)-cyclopropyl(phenyl)methyl]ethanamide
MOLECULAR FORMULA: C18H17ClFNO2
MOLECULAR WEIGHT: 333.784483
SMILES: C1CC1[C@H](C2=CC=CC=C2)NC(=O)COC3=CC(=C(C=C3)F)Cl
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Product OPENEYE NAME: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-ethyl-2,4,6-trimethyl-benzenesulfonamide
CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-N-ethyl-2,4,6-trimethylbenzenesulfonamide
IUPAC NAME: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethyl-2,4,6-trimethylbenzenesulfonamide
SYSTEMATIC NAME: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-N-ethyl-2,4,6-trimethyl-benzenesulfonamide
MOLECULAR FORMULA: C22H27N3O3S
MOLECULAR WEIGHT: 413.53308
SMILES: CCN(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)S(=O)(=O)C3=C(C=C(C=C3C)C)C
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Product OPENEYE NAME: 2-(3-tert-butylphenoxy)-N-[[5-(dimethylsulfamoyl)-2-thienyl]methyl]acetamide
CAS Name: 2-(3-tert-butylphenoxy)-N-[[5-(dimethylsulfamoyl)-2-thiophenyl]methyl]acetamide
IUPAC NAME: 2-(3-tert-butylphenoxy)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide
SYSTEMATIC NAME: 2-(3-tert-butylphenoxy)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]ethanamide
MOLECULAR FORMULA: C19H26N2O4S2
MOLECULAR WEIGHT: 410.55074
SMILES: CC(C)(C)C1=CC(=CC=C1)OCC(=O)NCC2=CC=C(S2)S(=O)(=O)N(C)C
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Product OPENEYE NAME: 3-[[2-(3-iodophenoxy)acetyl]amino]-N,N-dimethyl-benzamide
CAS Name: 3-[[2-(3-iodophenoxy)-1-oxoethyl]amino]-N,N-dimethylbenzamide
IUPAC NAME: 3-[[2-(3-iodophenoxy)acetyl]amino]-N,N-dimethylbenzamide
SYSTEMATIC NAME: 3-[2-(3-iodanylphenoxy)ethanoylamino]-N,N-dimethyl-benzamide
MOLECULAR FORMULA: C17H17IN2O3
MOLECULAR WEIGHT: 424.23295
SMILES: CN(C)C(=O)C1=CC(=CC=C1)NC(=O)COC2=CC(=CC=C2)I
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Product OPENEYE NAME: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide
CAS Name: N-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide
IUPAC NAME: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide
SYSTEMATIC NAME: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1H-indazole-3-carboxamide
MOLECULAR FORMULA: C17H12ClN5OS2
MOLECULAR WEIGHT: 401.89308
SMILES: C1=CC=C2C(=C1)C(=NN2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 3-[[2-[(1S)-1-hydroxytetralin-5-yl]oxyacetyl]amino]-N,N-dimethyl-benzamide
CAS Name: 3-[[2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-1-oxoethyl]amino]-N,N-dimethylbenzamide
IUPAC NAME: 3-[[2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetyl]amino]-N,N-dimethylbenzamide
SYSTEMATIC NAME: N,N-dimethyl-3-[2-[[(5S)-5-oxidanyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethanoylamino]benzamide
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: CN(C)C(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=CC3=C2CCC[C@@H]3O
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Product OPENEYE NAME: 3-[[2-[(1R)-1-hydroxytetralin-5-yl]oxyacetyl]amino]-N,N-dimethyl-benzamide
CAS Name: 3-[[2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-1-oxoethyl]amino]-N,N-dimethylbenzamide
IUPAC NAME: 3-[[2-[[(5R)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetyl]amino]-N,N-dimethylbenzamide
SYSTEMATIC NAME: N,N-dimethyl-3-[2-[[(5R)-5-oxidanyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethanoylamino]benzamide
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: CN(C)C(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=CC3=C2CCC[C@H]3O
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Product OPENEYE NAME: N,N-dimethyl-3-[[2-[2,4,5-trioxo-3-(2-thienylmethyl)imidazolidin-1-yl]acetyl]amino]benzamide
CAS Name: N,N-dimethyl-3-[[1-oxo-2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)-1-imidazolidinyl]ethyl]amino]benzamide
IUPAC NAME: N,N-dimethyl-3-[[2-[2,4,5-trioxo-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]acetyl]amino]benzamide
SYSTEMATIC NAME: N,N-dimethyl-3-[2-[2,4,5-tris(oxidanylidene)-3-(thiophen-2-ylmethyl)imidazolidin-1-yl]ethanoylamino]benzamide
MOLECULAR FORMULA: C19H18N4O5S
MOLECULAR WEIGHT: 414.43502
SMILES: CN(C)C(=O)C1=CC(=CC=C1)NC(=O)CN2C(=O)C(=O)N(C2=O)CC3=CC=CS3
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Product OPENEYE NAME: N-(2,5-diethoxyphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CAS Name: N-(2,5-diethoxyphenyl)-2-(4-oxo-3-pyrido[2,3-d]pyrimidinyl)acetamide
IUPAC NAME: N-(2,5-diethoxyphenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
SYSTEMATIC NAME: N-(2,5-diethoxyphenyl)-2-(4-oxidanylidenepyrido[2,3-d]pyrimidin-3-yl)ethanamide
MOLECULAR FORMULA: C19H20N4O4
MOLECULAR WEIGHT: 368.3865
SMILES: CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2C=NC3=C(C2=O)C=CC=N3
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-methylpyrrole-2-carboxylate
CAS Name: 1-methyl-2-pyrrolecarboxylic acid [(2R)-1-oxo-1-[3-(2-oxo-1-pyrrolidinyl)anilino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]propan-2-yl] 1-methylpyrrole-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]propan-2-yl] 1-methylpyrrole-2-carboxylate
MOLECULAR FORMULA: C19H21N3O4
MOLECULAR WEIGHT: 355.38774
SMILES: C[C@H](C(=O)NC1=CC=CC(=C1)N2CCCC2=O)OC(=O)C3=CC=CN3C
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 1-methylpyrrole-2-carboxylate
CAS Name: 1-methyl-2-pyrrolecarboxylic acid [(2S)-1-oxo-1-[3-(2-oxo-1-pyrrolidinyl)anilino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]propan-2-yl] 1-methylpyrrole-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]propan-2-yl] 1-methylpyrrole-2-carboxylate
MOLECULAR FORMULA: C19H21N3O4
MOLECULAR WEIGHT: 355.38774
SMILES: C[C@@H](C(=O)NC1=CC=CC(=C1)N2CCCC2=O)OC(=O)C3=CC=CN3C
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Product OPENEYE NAME: (2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-prop-2-ynyl-propanamide
CAS Name: (2R)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-prop-2-ynylpropanamide
IUPAC NAME: (2R)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-prop-2-ynylpropanamide
SYSTEMATIC NAME: (2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-prop-2-ynyl-propanamide
MOLECULAR FORMULA: C19H16N4OS
MOLECULAR WEIGHT: 348.42154
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@H](C)C(=O)NCC#C)C#N
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Product OPENEYE NAME: (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-prop-2-ynyl-propanamide
CAS Name: (2S)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-prop-2-ynylpropanamide
IUPAC NAME: (2S)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-prop-2-ynylpropanamide
SYSTEMATIC NAME: (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-prop-2-ynyl-propanamide
MOLECULAR FORMULA: C19H16N4OS
MOLECULAR WEIGHT: 348.42154
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@@H](C)C(=O)NCC#C)C#N
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Product OPENEYE NAME: [(1S)-2-[[(2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium
CAS Name: [(1S)-2-[[(2R)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium
IUPAC NAME: [(1S)-2-[[(2R)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoyl]amino]-1-phenylethyl]-dimethylazanium
SYSTEMATIC NAME: [(1S)-2-[[(2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium
MOLECULAR FORMULA: C26H28N5OS+
MOLECULAR WEIGHT: 458.59842
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@H](C)C(=O)NC[C@H](C4=CC=CC=C4)[NH+](C)C)C#N
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Product OPENEYE NAME: (2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]propanamide
CAS Name: (2R)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
IUPAC NAME: (2R)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
SYSTEMATIC NAME: (2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]propanamide
MOLECULAR FORMULA: C26H27N5OS
MOLECULAR WEIGHT: 457.59048
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@H](C)C(=O)NC[C@H](C4=CC=CC=C4)N(C)C)C#N
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Product OPENEYE NAME: [(1S)-2-[[(2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium
CAS Name: [(1S)-2-[[(2S)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium
IUPAC NAME: [(1S)-2-[[(2S)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoyl]amino]-1-phenylethyl]-dimethylazanium
SYSTEMATIC NAME: [(1S)-2-[[(2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium
MOLECULAR FORMULA: C26H28N5OS+
MOLECULAR WEIGHT: 458.59842
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@@H](C)C(=O)NC[C@H](C4=CC=CC=C4)[NH+](C)C)C#N
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Product OPENEYE NAME: (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]propanamide
CAS Name: (2S)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
IUPAC NAME: (2S)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2S)-2-(dimethylamino)-2-phenylethyl]propanamide
SYSTEMATIC NAME: (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]propanamide
MOLECULAR FORMULA: C26H27N5OS
MOLECULAR WEIGHT: 457.59048
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@@H](C)C(=O)NC[C@H](C4=CC=CC=C4)N(C)C)C#N
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Product OPENEYE NAME: [(1R)-2-[[(2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium
CAS Name: [(1R)-2-[[(2R)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium
IUPAC NAME: [(1R)-2-[[(2R)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoyl]amino]-1-phenylethyl]-dimethylazanium
SYSTEMATIC NAME: [(1R)-2-[[(2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium
MOLECULAR FORMULA: C26H28N5OS+
MOLECULAR WEIGHT: 458.59842
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@H](C)C(=O)NC[C@@H](C4=CC=CC=C4)[NH+](C)C)C#N
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Product OPENEYE NAME: (2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]propanamide
CAS Name: (2R)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
IUPAC NAME: (2R)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
SYSTEMATIC NAME: (2R)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]propanamide
MOLECULAR FORMULA: C26H27N5OS
MOLECULAR WEIGHT: 457.59048
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@H](C)C(=O)NC[C@@H](C4=CC=CC=C4)N(C)C)C#N
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