Thursday, May 16, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (1S,3S)-N-(2-hydroxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxamide
CAS Name: (1S,3S)-N-(2-hydroxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxamide
IUPAC NAME: (1S,3S)-N-(2-hydroxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SYSTEMATIC NAME: (1S,3S)-N-(2-hydroxyphenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: CC(=C[C@H]1[C@@H](C1(C)C)C(=O)NC2=CC=CC=C2O)C
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Product OPENEYE NAME: N-(2-hydroxyphenyl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CAS Name: N-(2-hydroxyphenyl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]-3-pyrazolecarboxamide
IUPAC NAME: N-(2-hydroxyphenyl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SYSTEMATIC NAME: N-(2-hydroxyphenyl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
MOLECULAR FORMULA: C18H14F3N3O3
MOLECULAR WEIGHT: 377.31727
SMILES: COC1=CN(N=C1C(=O)NC2=CC=CC=C2O)C3=CC=CC(=C3)C(F)(F)F
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Product OPENEYE NAME: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-3-pyrrol-1-yl-thiophene-2-carboxamide
CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-(1-pyrrolyl)-2-thiophenecarboxamide
IUPAC NAME: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
SYSTEMATIC NAME: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-3-pyrrol-1-yl-thiophene-2-carboxamide
MOLECULAR FORMULA: C17H14ClFN2OS
MOLECULAR WEIGHT: 348.822263
SMILES: CN(CC1=C(C=CC=C1Cl)F)C(=O)C2=C(C=CS2)N3C=CC=C3
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Product OPENEYE NAME: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,6-dimethyl-pyridine-3-carboxamide
CAS Name: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,6-dimethyl-3-pyridinecarboxamide
IUPAC NAME: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
SYSTEMATIC NAME: N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,6-dimethyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C17H18N2O3
MOLECULAR WEIGHT: 298.33642
SMILES: CC1=NC=C(C=C1)C(=O)N(C)C[C@@H]2COC3=CC=CC=C3O2
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Product OPENEYE NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,6-dimethyl-pyridine-3-carboxamide
CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,6-dimethyl-3-pyridinecarboxamide
IUPAC NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
SYSTEMATIC NAME: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,6-dimethyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C17H18N2O3
MOLECULAR WEIGHT: 298.33642
SMILES: CC1=NC=C(C=C1)C(=O)N(C)C[C@H]2COC3=CC=CC=C3O2
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Product OPENEYE NAME: N-[(4-fluorophenyl)methyl]-N-methyl-3-pyrrol-1-yl-thiophene-2-carboxamide
CAS Name: N-[(4-fluorophenyl)methyl]-N-methyl-3-(1-pyrrolyl)-2-thiophenecarboxamide
IUPAC NAME: N-[(4-fluorophenyl)methyl]-N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-N-methyl-3-pyrrol-1-yl-thiophene-2-carboxamide
MOLECULAR FORMULA: C17H15FN2OS
MOLECULAR WEIGHT: 314.377203
SMILES: CN(CC1=CC=C(C=C1)F)C(=O)C2=C(C=CS2)N3C=CC=C3
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Product OPENEYE NAME: N-[2-(4-chlorophenoxy)ethyl]-3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-N-methyl-propanamide
CAS Name: N-[2-(4-chlorophenoxy)ethyl]-3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-methylpropanamide
IUPAC NAME: N-[2-(4-chlorophenoxy)ethyl]-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-methylpropanamide
SYSTEMATIC NAME: N-[2-(4-chloranylphenoxy)ethyl]-3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-N-methyl-propanamide
MOLECULAR FORMULA: C20H22ClN3O3S
MOLECULAR WEIGHT: 419.92498
SMILES: CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)N(C)CCOC3=CC=C(C=C3)Cl)C
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Product OPENEYE NAME: N-[(S)-benzofuran-2-yl(phenyl)methyl]-6-methyl-pyridine-3-carboxamide
CAS Name: N-[(S)-2-benzofuranyl(phenyl)methyl]-6-methyl-3-pyridinecarboxamide
IUPAC NAME: N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-6-methylpyridine-3-carboxamide
SYSTEMATIC NAME: N-[(S)-1-benzofuran-2-yl(phenyl)methyl]-6-methyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C22H18N2O2
MOLECULAR WEIGHT: 342.39052
SMILES: CC1=NC=C(C=C1)C(=O)N[C@@H](C2=CC=CC=C2)C3=CC4=CC=CC=C4O3
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Product OPENEYE NAME: N-[(R)-benzofuran-2-yl(phenyl)methyl]-6-methyl-pyridine-3-carboxamide
CAS Name: N-[(R)-2-benzofuranyl(phenyl)methyl]-6-methyl-3-pyridinecarboxamide
IUPAC NAME: N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-6-methylpyridine-3-carboxamide
SYSTEMATIC NAME: N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-6-methyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C22H18N2O2
MOLECULAR WEIGHT: 342.39052
SMILES: CC1=NC=C(C=C1)C(=O)N[C@H](C2=CC=CC=C2)C3=CC4=CC=CC=C4O3
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Product OPENEYE NAME: (2R)-N-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-butanamide
CAS Name: (2R)-N-[4-(difluoromethylsulfonyl)phenyl]-2-methylbutanamide
IUPAC NAME: (2R)-N-[4-(difluoromethylsulfonyl)phenyl]-2-methylbutanamide
SYSTEMATIC NAME: (2R)-N-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-2-methyl-butanamide
MOLECULAR FORMULA: C12H15F2NO3S
MOLECULAR WEIGHT: 291.314206
SMILES: CC[C@@H](C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)C(F)F
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Product OPENEYE NAME: (2S)-N-[4-(difluoromethylsulfonyl)phenyl]-2-methyl-butanamide
CAS Name: (2S)-N-[4-(difluoromethylsulfonyl)phenyl]-2-methylbutanamide
IUPAC NAME: (2S)-N-[4-(difluoromethylsulfonyl)phenyl]-2-methylbutanamide
SYSTEMATIC NAME: (2S)-N-[4-[bis(fluoranyl)methylsulfonyl]phenyl]-2-methyl-butanamide
MOLECULAR FORMULA: C12H15F2NO3S
MOLECULAR WEIGHT: 291.314206
SMILES: CC[C@H](C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)C(F)F
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Product OPENEYE NAME: methyl 2-[(2-oxo-4-propyl-chromen-7-yl)oxymethyl]furan-3-carboxylate
CAS Name: 2-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxymethyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(2-oxo-4-propylchromen-7-yl)oxymethyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(2-oxidanylidene-4-propyl-chromen-7-yl)oxymethyl]furan-3-carboxylate
MOLECULAR FORMULA: C19H18O6
MOLECULAR WEIGHT: 342.34262
SMILES: CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=C(C=CO3)C(=O)OC
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Product OPENEYE NAME: (2R)-N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-methyl-butanamide
CAS Name: (2R)-N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-methylbutanamide
IUPAC NAME: (2R)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-methylbutanamide
SYSTEMATIC NAME: (2R)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-methyl-butanamide
MOLECULAR FORMULA: C15H16N2O3S
MOLECULAR WEIGHT: 304.36414
SMILES: CC[C@@H](C)C(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: (2S)-N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-methyl-butanamide
CAS Name: (2S)-N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-methylbutanamide
IUPAC NAME: (2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-methylbutanamide
SYSTEMATIC NAME: (2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-methyl-butanamide
MOLECULAR FORMULA: C15H16N2O3S
MOLECULAR WEIGHT: 304.36414
SMILES: CC[C@H](C)C(=O)NC1=NC(=CS1)C2=CC3=C(C=C2)OCO3
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Product OPENEYE NAME: methyl 2-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-3-carboxylate
CAS Name: 2-[[oxo-[2-[(1-oxo-2-phenylethyl)amino]phenyl]methoxy]methyl]-3-furancarboxylic acid methyl ester
IUPAC NAME: methyl 2-[[2-[(2-phenylacetyl)amino]benzoyl]oxymethyl]furan-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[2-(2-phenylethanoylamino)phenyl]carbonyloxymethyl]furan-3-carboxylate
MOLECULAR FORMULA: C22H19NO6
MOLECULAR WEIGHT: 393.38936
SMILES: COC(=O)C1=C(OC=C1)COC(=O)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl (2R)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CAS Name: (2R)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl (2R)-2-[(4-chlorophenyl)sulfonylamino]propanoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl (2R)-2-[(4-chlorophenyl)sulfonylamino]propanoate
MOLECULAR FORMULA: C19H16ClN3O4S
MOLECULAR WEIGHT: 417.86604
SMILES: C[C@H](C(=O)OCC1=CN2C=CC=CC2=C1C#N)NS(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
MOLECULAR FORMULA: C19H16ClN3O4S
MOLECULAR WEIGHT: 417.86604
SMILES: C[C@@H](C(=O)OCC1=CN2C=CC=CC2=C1C#N)NS(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]propanoate
CAS Name: (2R)-2-[(3-chlorophenyl)sulfonylamino]propanoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]propanoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl (2R)-2-[(3-chlorophenyl)sulfonylamino]propanoate
MOLECULAR FORMULA: C19H16ClN3O4S
MOLECULAR WEIGHT: 417.86604
SMILES: C[C@H](C(=O)OCC1=CN2C=CC=CC2=C1C#N)NS(=O)(=O)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate
CAS Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl (2S)-2-[(3-chlorophenyl)sulfonylamino]propanoate
MOLECULAR FORMULA: C19H16ClN3O4S
MOLECULAR WEIGHT: 417.86604
SMILES: C[C@@H](C(=O)OCC1=CN2C=CC=CC2=C1C#N)NS(=O)(=O)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide
CAS Name: (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide
MOLECULAR FORMULA: C24H32ClN4O3S+
MOLECULAR WEIGHT: 492.05388
SMILES: CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)[C@@H]3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CAS Name: (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
MOLECULAR FORMULA: C24H31ClN4O3S
MOLECULAR WEIGHT: 491.04594
SMILES: CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)[C@@H]3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (3S)-1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide
CAS Name: (3S)-1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-piperidinecarboxamide
IUPAC NAME: (3S)-1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide
SYSTEMATIC NAME: (3S)-1-(4-chlorophenyl)sulfonyl-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]piperidine-3-carboxamide
MOLECULAR FORMULA: C24H32ClN4O3S+
MOLECULAR WEIGHT: 492.05388
SMILES: CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=C(C=C4)Cl
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