Thursday, May 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: methyl 3-(2,2-dimethylpropanoylamino)-4-fluoro-benzoate
CAS Name: 3-[(2,2-dimethyl-1-oxopropyl)amino]-4-fluorobenzoic acid methyl ester
IUPAC NAME: methyl 3-(2,2-dimethylpropanoylamino)-4-fluorobenzoate
SYSTEMATIC NAME: methyl 3-(2,2-dimethylpropanoylamino)-4-fluoranyl-benzoate
MOLECULAR FORMULA: C13H16FNO3
MOLECULAR WEIGHT: 253.269443
SMILES: CC(C)(C)C(=O)NC1=C(C=CC(=C1)C(=O)OC)F
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Product OPENEYE NAME: methyl 4-fluoro-3-[[(3S)-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate
CAS Name: 4-fluoro-3-[[[(3S)-1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-fluoro-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SYSTEMATIC NAME: methyl 4-fluoranyl-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate
MOLECULAR FORMULA: C18H17FN2O5
MOLECULAR WEIGHT: 360.336383
SMILES: COC(=O)C1=CC(=C(C=C1)F)NC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CO3
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Product OPENEYE NAME: methyl 4-fluoro-3-[[(3R)-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate
CAS Name: 4-fluoro-3-[[[(3R)-1-(2-furanylmethyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-fluoro-3-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SYSTEMATIC NAME: methyl 4-fluoranyl-3-[[(3R)-1-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate
MOLECULAR FORMULA: C18H17FN2O5
MOLECULAR WEIGHT: 360.336383
SMILES: COC(=O)C1=CC(=C(C=C1)F)NC(=O)[C@@H]2CC(=O)N(C2)CC3=CC=CO3
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Product OPENEYE NAME: methyl 4-fluoro-3-[(2-methyl-1,3-dioxo-isoindoline-5-carbonyl)amino]benzoate
CAS Name: 4-fluoro-3-[[(2-methyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-fluoro-3-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoate
SYSTEMATIC NAME: methyl 4-fluoranyl-3-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]benzoate
MOLECULAR FORMULA: C18H13FN2O5
MOLECULAR WEIGHT: 356.304623
SMILES: CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F
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Product OPENEYE NAME: methyl 4-fluoro-3-[[2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetyl]amino]benzoate
CAS Name: 3-[[2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxoethyl]amino]-4-fluorobenzoic acid methyl ester
IUPAC NAME: methyl 3-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-4-fluorobenzoate
SYSTEMATIC NAME: methyl 3-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoylamino]-4-fluoranyl-benzoate
MOLECULAR FORMULA: C19H24FN3O3
MOLECULAR WEIGHT: 361.410563
SMILES: CC1=C(C(=NN1CC(C)C)C)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)F
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Product OPENEYE NAME: methyl 3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetyl]amino]-4-fluoro-benzoate
CAS Name: 3-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,2-dioxoethyl]amino]-4-fluorobenzoic acid methyl ester
IUPAC NAME: methyl 3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-4-fluorobenzoate
SYSTEMATIC NAME: methyl 3-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]-4-fluoranyl-benzoate
MOLECULAR FORMULA: C21H18FN3O4
MOLECULAR WEIGHT: 395.383723
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NC3=C(C=CC(=C3)C(=O)OC)F
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Product OPENEYE NAME: methyl 4-fluoro-3-[[2-[methyl(thiophene-2-carbonyl)amino]benzoyl]amino]benzoate
CAS Name: 4-fluoro-3-[[[2-[methyl-[oxo(thiophen-2-yl)methyl]amino]phenyl]-oxomethyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-fluoro-3-[[2-[methyl(thiophene-2-carbonyl)amino]benzoyl]amino]benzoate
SYSTEMATIC NAME: methyl 4-fluoranyl-3-[[2-[methyl(thiophen-2-ylcarbonyl)amino]phenyl]carbonylamino]benzoate
MOLECULAR FORMULA: C21H17FN2O4S
MOLECULAR WEIGHT: 412.434083
SMILES: CN(C1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)OC)F)C(=O)C3=CC=CS3
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Product OPENEYE NAME: 2-[2-(3-fluorophenyl)thiazol-4-yl]-N-[4-(phenylsulfamoyl)phenyl]acetamide
CAS Name: 2-[2-(3-fluorophenyl)-4-thiazolyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide
IUPAC NAME: 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(phenylsulfamoyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(phenylsulfamoyl)phenyl]ethanamide
MOLECULAR FORMULA: C23H18FN3O3S2
MOLECULAR WEIGHT: 467.535723
SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)C4=CC(=CC=C4)F
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Product OPENEYE NAME: 2,2-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
CAS Name: 2,2-dimethyl-1-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-1-propanone
IUPAC NAME: 2,2-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
SYSTEMATIC NAME: 2,2-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C13H24N2O2
MOLECULAR WEIGHT: 240.34186
SMILES: CC(C)C(=O)N1CCN(CC1)C(=O)C(C)(C)C
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Product OPENEYE NAME: 2-methyl-N-[3-(N-methylanilino)propyl]-2-phenyl-propanamide
CAS Name: 2-methyl-N-[3-(N-methylanilino)propyl]-2-phenylpropanamide
IUPAC NAME: 2-methyl-N-[3-(N-methylanilino)propyl]-2-phenylpropanamide
SYSTEMATIC NAME: 2-methyl-N-[3-[methyl(phenyl)amino]propyl]-2-phenyl-propanamide
MOLECULAR FORMULA: C20H26N2O
MOLECULAR WEIGHT: 310.43324
SMILES: CC(C)(C1=CC=CC=C1)C(=O)NCCCN(C)C2=CC=CC=C2
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Product OPENEYE NAME: N-(2-methyl-2-morpholino-propyl)-4-[5-(o-tolyl)-1,3,4-oxadiazol-2-yl]benzamide
CAS Name: N-[2-methyl-2-(4-morpholinyl)propyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
IUPAC NAME: N-(2-methyl-2-morpholin-4-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SYSTEMATIC NAME: N-(2-methyl-2-morpholin-4-yl-propyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
MOLECULAR FORMULA: C24H28N4O3
MOLECULAR WEIGHT: 420.50412
SMILES: CC1=CC=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NCC(C)(C)N4CCOCC4
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Product OPENEYE NAME: N'-(2-methyl-2-phenyl-propanoyl)furan-2-carbohydrazide
CAS Name: N'-(2-methyl-1-oxo-2-phenylpropyl)-2-furancarbohydrazide
IUPAC NAME: N'-(2-methyl-2-phenylpropanoyl)furan-2-carbohydrazide
SYSTEMATIC NAME: N'-(2-methyl-2-phenyl-propanoyl)furan-2-carbohydrazide
MOLECULAR FORMULA: C15H16N2O3
MOLECULAR WEIGHT: 272.29914
SMILES: CC(C)(C1=CC=CC=C1)C(=O)NNC(=O)C2=CC=CO2
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Product OPENEYE NAME: N-(4-hydroxycyclohexyl)-1-phenyl-cyclobutanecarboxamide
CAS Name: N-(4-hydroxycyclohexyl)-1-phenyl-1-cyclobutanecarboxamide
IUPAC NAME: N-(4-hydroxycyclohexyl)-1-phenylcyclobutane-1-carboxamide
SYSTEMATIC NAME: N-(4-oxidanylcyclohexyl)-1-phenyl-cyclobutane-1-carboxamide
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: C1CC(C1)(C2=CC=CC=C2)C(=O)NC3CCC(CC3)O
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Product OPENEYE NAME: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C19H22N2O5S2
MOLECULAR WEIGHT: 422.51838
SMILES: CC1=CC=C(S1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NC3=CC4=C(C=C3)OCCO4
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Product OPENEYE NAME: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide
CAS Name: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide
IUPAC NAME: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide
MOLECULAR FORMULA: C19H22N2O5S2
MOLECULAR WEIGHT: 422.51838
SMILES: CC1=CC=C(S1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NC3=CC4=C(C=C3)OCCO4
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Product OPENEYE NAME: [1-(1-methylpyrrol-3-yl)sulfonyl-4-piperidyl]-(1-piperidyl)methanone
CAS Name: [1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinyl]-(1-piperidinyl)methanone
IUPAC NAME: [1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone
SYSTEMATIC NAME: [1-(1-methylpyrrol-3-yl)sulfonylpiperidin-4-yl]-piperidin-1-yl-methanone
MOLECULAR FORMULA: C16H25N3O3S
MOLECULAR WEIGHT: 339.453
SMILES: CN1C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCC3
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Product OPENEYE NAME: [6-[(5-chloro-2-thienyl)sulfonylimino]cyclohexa-2,4-dien-1-ylidene]-(3,4-dihydro-1H-isoquinolin-2-yl)methanolate
CAS Name: [6-[(5-chloro-2-thiophenyl)sulfonylimino]-1-cyclohexa-2,4-dienylidene]-(3,4-dihydro-1H-isoquinolin-2-yl)methanolate
IUPAC NAME: [6-(5-chlorothiophen-2-yl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-(3,4-dihydro-1H-isoquinolin-2-yl)methanolate
SYSTEMATIC NAME: [6-(5-chloranylthiophen-2-yl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-(3,4-dihydro-1H-isoquinolin-2-yl)methanolate
MOLECULAR FORMULA: C20H16ClN2O3S2-
MOLECULAR WEIGHT: 431.93564
SMILES: C1CN(CC2=CC=CC=C21)C(=C3C=CC=CC3=NS(=O)(=O)C4=CC=C(S4)Cl)[O-]
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Product OPENEYE NAME: 5-chloro-N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thiophene-2-sulfonamide
CAS Name: 5-chloro-N-[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]phenyl]-2-thiophenesulfonamide
IUPAC NAME: 5-chloro-N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thiophene-2-sulfonamide
SYSTEMATIC NAME: 5-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]thiophene-2-sulfonamide
MOLECULAR FORMULA: C20H17ClN2O3S2
MOLECULAR WEIGHT: 432.94358
SMILES: C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(S4)Cl
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