Wednesday, January 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-2,3-dihydrobenzofuran-5-sulfonamide
CAS Name: N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-2,3-dihydrobenzofuran-5-sulfonamide
IUPAC NAME: N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SYSTEMATIC NAME: N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
MOLECULAR FORMULA: C16H20N4O3S
MOLECULAR WEIGHT: 348.42
SMILES: C1CCC2=NN=C(N2CC1)CNS(=O)(=O)C3=CC4=C(C=C3)OCC4
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Product OPENEYE NAME: 4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]benzoic acid
CAS Name: 4-[methyl-[(1-methyl-4-pyrazolyl)methyl]sulfamoyl]benzoic acid
IUPAC NAME: 4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]benzoic acid
SYSTEMATIC NAME: 4-[methyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]benzoic acid
MOLECULAR FORMULA: C13H15N3O4S
MOLECULAR WEIGHT: 309.3409
SMILES: CN1C=C(C=N1)CN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)O
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Product OPENEYE NAME: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
CAS Name: N-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
IUPAC NAME: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
SYSTEMATIC NAME: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
MOLECULAR FORMULA: C16H19N3O2S
MOLECULAR WEIGHT: 317.40596
SMILES: CN1C=C(C=N1)CN(C)S(=O)(=O)C2=CC3=CC=CC=C3CC2
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Product OPENEYE NAME: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydrobenzofuran-5-sulfonamide
CAS Name: N-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-2,3-dihydrobenzofuran-5-sulfonamide
IUPAC NAME: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SYSTEMATIC NAME: N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
MOLECULAR FORMULA: C14H17N3O3S
MOLECULAR WEIGHT: 307.36808
SMILES: CN1C=C(C=N1)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCC3
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Product OPENEYE NAME: 3-cyano-N-[1-(5-methyl-2-furyl)ethyl]benzenesulfonamide
CAS Name: 3-cyano-N-[1-(5-methyl-2-furanyl)ethyl]benzenesulfonamide
IUPAC NAME: 3-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SYSTEMATIC NAME: 3-cyano-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
MOLECULAR FORMULA: C14H14N2O3S
MOLECULAR WEIGHT: 290.33756
SMILES: CC1=CC=C(O1)C(C)NS(=O)(=O)C2=CC=CC(=C2)C#N
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Product OPENEYE NAME: 2,5-dimethoxy-N-[1-(5-methyl-2-furyl)ethyl]benzenesulfonamide
CAS Name: 2,5-dimethoxy-N-[1-(5-methyl-2-furanyl)ethyl]benzenesulfonamide
IUPAC NAME: 2,5-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
SYSTEMATIC NAME: 2,5-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
MOLECULAR FORMULA: C15H19NO5S
MOLECULAR WEIGHT: 325.38006
SMILES: CC1=CC=C(O1)C(C)NS(=O)(=O)C2=C(C=CC(=C2)OC)OC
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Product OPENEYE NAME: (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CAS Name: (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(1-methyl-4-pyrazolyl)-2-propenamide
IUPAC NAME: (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-N-[(2-fluorophenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
MOLECULAR FORMULA: C15H16FN3O
MOLECULAR WEIGHT: 273.305443
SMILES: CN1C=C(C=N1)/C=C/C(=O)N(C)CC2=CC=CC=C2F
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Product OPENEYE NAME: N-(3-fluorophenyl)-2-[[2-(2-methoxyethoxy)acetyl]-methyl-amino]acetamide
CAS Name: N-(3-fluorophenyl)-2-[[2-(2-methoxyethoxy)-1-oxoethyl]-methylamino]acetamide
IUPAC NAME: N-(3-fluorophenyl)-2-[[2-(2-methoxyethoxy)acetyl]-methylamino]acetamide
SYSTEMATIC NAME: N-(3-fluorophenyl)-2-[2-(2-methoxyethoxy)ethanoyl-methyl-amino]ethanamide
MOLECULAR FORMULA: C14H19FN2O4
MOLECULAR WEIGHT: 298.310063
SMILES: CN(CC(=O)NC1=CC(=CC=C1)F)C(=O)COCCOC
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Product OPENEYE NAME: N-isopropyl-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CAS Name: 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]-N-propan-2-ylpropanamide
IUPAC NAME: 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
SYSTEMATIC NAME: 2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-yl-propanamide
MOLECULAR FORMULA: C14H17N3OS3
MOLECULAR WEIGHT: 339.49928
SMILES: CC(C)NC(=O)C(C)SC1=NN(C(=S)S1)C2=CC=CC=C2
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Product OPENEYE NAME: [2-(isopropylamino)-1-methyl-2-oxo-ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [1-oxo-1-(propan-2-ylamino)propan-2-yl] ester
IUPAC NAME: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-ethyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C17H21N3O4
MOLECULAR WEIGHT: 331.36634
SMILES: CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC(C)C
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Product OPENEYE NAME: 6-[2-(2-oxochromen-7-yl)oxyacetyl]-3,4-dihydro-1H-quinolin-2-one
CAS Name: 6-[1-oxo-2-[(2-oxo-1-benzopyran-7-yl)oxy]ethyl]-3,4-dihydro-1H-quinolin-2-one
IUPAC NAME: 6-[2-(2-oxochromen-7-yl)oxyacetyl]-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: 6-[2-(2-oxidanylidenechromen-7-yl)oxyethanoyl]-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C20H15NO5
MOLECULAR WEIGHT: 349.3368
SMILES: C1CC(=O)NC2=C1C=C(C=C2)C(=O)COC3=CC4=C(C=C3)C=CC(=O)O4
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Product OPENEYE NAME: 5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CAS Name: 5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-2-furancarboxamide
IUPAC NAME: 5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
SYSTEMATIC NAME: 5-chloranyl-N-[1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
MOLECULAR FORMULA: C13H13ClN2O4S
MOLECULAR WEIGHT: 328.77132
SMILES: CC(C1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=C(O2)Cl
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Product OPENEYE NAME: N-isopropyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CAS Name: N-propan-2-yl-2-[3-(1-tetrazolyl)phenoxy]propanamide
IUPAC NAME: N-propan-2-yl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
SYSTEMATIC NAME: N-propan-2-yl-2-[3-(1,2,3,4-tetrazol-1-yl)phenoxy]propanamide
MOLECULAR FORMULA: C13H17N5O2
MOLECULAR WEIGHT: 275.30638
SMILES: CC(C)NC(=O)C(C)OC1=CC=CC(=C1)N2C=NN=N2
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Product OPENEYE NAME: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]prop-2-en-1-one
CAS Name: (E)-3-(1-methyl-4-pyrazolyl)-1-[4-(2-phenoxyethyl)-1-piperazinyl]-2-propen-1-one
IUPAC NAME: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(1-methylpyrazol-4-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]prop-2-en-1-one
MOLECULAR FORMULA: C19H24N4O2
MOLECULAR WEIGHT: 340.41946
SMILES: CN1C=C(C=N1)/C=C/C(=O)N2CCN(CC2)CCOC3=CC=CC=C3
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Product OPENEYE NAME: (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CAS Name: (E)-N-methyl-3-(1-methyl-4-pyrazolyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-2-propenamide
IUPAC NAME: (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SYSTEMATIC NAME: (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
MOLECULAR FORMULA: C16H16F3N3O
MOLECULAR WEIGHT: 323.31295
SMILES: CN1C=C(C=N1)/C=C/C(=O)N(C)CC2=CC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: 2-methyl-N-[4-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]propanamide
CAS Name: 2-methyl-N-[4-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]phenyl]propanamide
IUPAC NAME: 2-methyl-N-[4-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]propanamide
SYSTEMATIC NAME: 2-methyl-N-[4-[2-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]propanamide
MOLECULAR FORMULA: C16H20N4O3S
MOLECULAR WEIGHT: 348.42
SMILES: CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NNC(=O)N2C
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Product OPENEYE NAME: 2-(3-chloro-4-fluoro-phenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CAS Name: 2-[(3-chloro-4-fluorophenyl)thio]-N-(2-methoxyethyl)acetamide
IUPAC NAME: 2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
SYSTEMATIC NAME: 2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-N-(2-methoxyethyl)ethanamide
MOLECULAR FORMULA: C11H13ClFNO2S
MOLECULAR WEIGHT: 277.742823
SMILES: COCCNC(=O)CSC1=CC(=C(C=C1)F)Cl
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