Tuesday, January 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate
CAS Name: 5-bicyclo[2.2.1]hept-2-enecarboxylic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester
IUPAC NAME: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate
SYSTEMATIC NAME: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate
MOLECULAR FORMULA: C16H14Br2N2O5
MOLECULAR WEIGHT: 474.10076
SMILES: C1C2CC(C1C=C2)C(=O)OCC(=O)NC3=C(C=C(C=C3Br)[N+](=O)[O-])Br
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Product OPENEYE NAME: 1-benzyl-3-[1-(2-thienyl)ethylideneamino]thiourea
CAS Name: 1-(phenylmethyl)-3-(1-thiophen-2-ylethylideneamino)thiourea
IUPAC NAME: 1-benzyl-3-(1-thiophen-2-ylethylideneamino)thiourea
SYSTEMATIC NAME: 1-(phenylmethyl)-3-(1-thiophen-2-ylethylideneamino)thiourea
MOLECULAR FORMULA: C14H15N3S2
MOLECULAR WEIGHT: 289.419
SMILES: CC(=NNC(=S)NCC1=CC=CC=C1)C2=CC=CS2
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Product OPENEYE NAME: ethyl 2-[2-[(3-nitrophenyl)sulfonylamino]anilino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[2-[(3-nitrophenyl)sulfonylamino]anilino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[2-[(3-nitrophenyl)sulfonylamino]anilino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[2-[(3-nitrophenyl)sulfonylamino]phenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C23H23N3O6S2
MOLECULAR WEIGHT: 501.57522
SMILES: CCOC(=O)C1=C(SC2=C1CCCC2)NC3=CC=CC=C3NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]
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Product OPENEYE NAME: N-(3,4-difluorophenyl)-5-oxo-thiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: N-(3,4-difluorophenyl)-5-oxo-6-thiazolo[3,2-a]pyrimidinecarboxamide
IUPAC NAME: N-(3,4-difluorophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[3,4-bis(fluoranyl)phenyl]-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C13H7F2N3O2S
MOLECULAR WEIGHT: 307.275386
SMILES: C1=CC(=C(C=C1NC(=O)C2=CN=C3N(C2=O)C=CS3)F)F
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Product OPENEYE NAME: ethyl 5-[(4-isopropoxybenzoyl)amino]-4-oxo-3-(p-tolyl)thieno[3,4-d]pyridazine-1-carboxylate
CAS Name: 3-(4-methylphenyl)-4-oxo-5-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(4-methylphenyl)-4-oxo-5-[(4-propan-2-yloxybenzoyl)amino]thieno[3,4-d]pyridazine-1-carboxylate
SYSTEMATIC NAME: ethyl 3-(4-methylphenyl)-4-oxidanylidene-5-[(4-propan-2-yloxyphenyl)carbonylamino]thieno[3,4-d]pyridazine-1-carboxylate
MOLECULAR FORMULA: C26H25N3O5S
MOLECULAR WEIGHT: 491.5588
SMILES: CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)C3=CC=C(C=C3)OC(C)C)C4=CC=C(C=C4)C
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Product OPENEYE NAME: ethyl 4-[(3-chlorobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate
CAS Name: 4-[[(3-chlorophenyl)-oxomethyl]-[(2-oxo-1-pyrrolidinyl)methyl]amino]benzoic acid ethyl ester
IUPAC NAME: ethyl 4-[(3-chlorobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[(3-chlorophenyl)carbonyl-[(2-oxidanylidenepyrrolidin-1-yl)methyl]amino]benzoate
MOLECULAR FORMULA: C21H21ClN2O4
MOLECULAR WEIGHT: 400.85544
SMILES: CCOC(=O)C1=CC=C(C=C1)N(CN2CCCC2=O)C(=O)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-6-fluoro-benzamide
CAS Name: 2-chloro-N-[(1,2-dimethyl-5-indolyl)methyl]-6-fluorobenzamide
IUPAC NAME: 2-chloro-N-[(1,2-dimethylindol-5-yl)methyl]-6-fluorobenzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(1,2-dimethylindol-5-yl)methyl]-6-fluoranyl-benzamide
MOLECULAR FORMULA: C18H16ClFN2O
MOLECULAR WEIGHT: 330.783843
SMILES: CC1=CC2=C(N1C)C=CC(=C2)CNC(=O)C3=C(C=CC=C3Cl)F
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Product OPENEYE NAME: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(7-methylthiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
CAS Name: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(7-methyl-2-thiazolo[5,4-e][1,3]benzothiazolyl)benzamide
IUPAC NAME: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
SYSTEMATIC NAME: 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)benzamide
MOLECULAR FORMULA: C25H20N4O3S3
MOLECULAR WEIGHT: 520.6463
SMILES: CC1=NC2=C(S1)C=CC3=C2SC(=N3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC6=CC=CC=C65
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Product OPENEYE NAME: N-(1-naphthyl)-4-(3-nitrophenyl)thiazol-2-amine
CAS Name: N-(1-naphthalenyl)-4-(3-nitrophenyl)-2-thiazolamine
IUPAC NAME: N-naphthalen-1-yl-4-(3-nitrophenyl)-1,3-thiazol-2-amine
SYSTEMATIC NAME: N-naphthalen-1-yl-4-(3-nitrophenyl)-1,3-thiazol-2-amine
MOLECULAR FORMULA: C19H13N3O2S
MOLECULAR WEIGHT: 347.39042
SMILES: C1=CC=C2C(=C1)C=CC=C2NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide
CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-fluorophenyl)-1-piperazinecarbothioamide
IUPAC NAME: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide
SYSTEMATIC NAME: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide
MOLECULAR FORMULA: C19H16F7N3S
MOLECULAR WEIGHT: 451.404262
SMILES: C1CN(CCN1C2=CC=CC=C2F)C(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxo-4-phenyl-N-[3-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide
CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxo-4-phenyl-N-[3-(trifluoromethyl)phenyl]-1-cyclohexenecarboxamide
IUPAC NAME: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxo-4-phenyl-N-[3-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide
SYSTEMATIC NAME: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-oxidanylidene-4-phenyl-N-[3-(trifluoromethyl)phenyl]cyclohexene-1-carboxamide
MOLECULAR FORMULA: C30H29F3N2O4
MOLECULAR WEIGHT: 538.55747
SMILES: COC1=C(C=C(C=C1)CCNC2=C(C(=O)CC(C2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)OC
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Product OPENEYE NAME: N-(3-benzyloxy-2-pyridyl)-1-phenyl-cyclopentanecarboxamide
CAS Name: 1-phenyl-N-(3-phenylmethoxy-2-pyridinyl)-1-cyclopentanecarboxamide
IUPAC NAME: 1-phenyl-N-(3-phenylmethoxypyridin-2-yl)cyclopentane-1-carboxamide
SYSTEMATIC NAME: 1-phenyl-N-(3-phenylmethoxypyridin-2-yl)cyclopentane-1-carboxamide
MOLECULAR FORMULA: C24H24N2O2
MOLECULAR WEIGHT: 372.45956
SMILES: C1CCC(C1)(C2=CC=CC=C2)C(=O)NC3=C(C=CC=N3)OCC4=CC=CC=C4
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Product OPENEYE NAME: N-(3-chloro-2-methyl-phenyl)-3-[[2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]benzamide
CAS Name: N-(3-chloro-2-methylphenyl)-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
IUPAC NAME: N-(3-chloro-2-methylphenyl)-3-[[2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]benzamide
SYSTEMATIC NAME: N-(3-chloranyl-2-methyl-phenyl)-3-[[2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]benzamide
MOLECULAR FORMULA: C21H16ClF3N2O2
MOLECULAR WEIGHT: 420.81215
SMILES: CC1=C(C=CC=C1Cl)NC(=O)C2=CC(=CC=C2)CN3C=C(C=CC3=O)C(F)(F)F
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Product OPENEYE NAME: methyl 2-[3-(4-tert-butylphenyl)prop-2-enoylamino]-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
CAS Name: 2-[[3-(4-tert-butylphenyl)-1-oxoprop-2-enyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2-[3-(4-tert-butylphenyl)prop-2-enoylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[3-(4-tert-butylphenyl)prop-2-enoylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MOLECULAR FORMULA: C28H37NO3S
MOLECULAR WEIGHT: 467.66328
SMILES: CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C=CC3=CC=C(C=C3)C(C)(C)C
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Product OPENEYE NAME: N-(2,6-dimethylphenyl)-2,4-dinitro-benzamide
CAS Name: N-(2,6-dimethylphenyl)-2,4-dinitrobenzamide
IUPAC NAME: N-(2,6-dimethylphenyl)-2,4-dinitrobenzamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2,4-dinitro-benzamide
MOLECULAR FORMULA: C15H13N3O5
MOLECULAR WEIGHT: 315.28082
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 3-chloro-N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]benzothiophene-2-carboxamide
CAS Name: 3-chloro-N-[1-[3-[[cyclopropyl(oxo)methyl]amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
IUPAC NAME: 3-chloro-N-[1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: 3-chloranyl-N-[1-[3-(cyclopropylcarbonylamino)phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C21H18ClN3O2S
MOLECULAR WEIGHT: 411.90452
SMILES: CC(=NNC(=O)C1=C(C2=CC=CC=C2S1)Cl)C3=CC(=CC=C3)NC(=O)C4CC4
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Product OPENEYE NAME: methyl 4-[[(2-phenoxyacetyl)hydrazono]methyl]benzoate
CAS Name: 4-[[(1-oxo-2-phenoxyethyl)hydrazinylidene]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[(2-phenoxyacetyl)hydrazinylidene]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[(2-phenoxyethanoylhydrazinylidene)methyl]benzoate
MOLECULAR FORMULA: C17H16N2O4
MOLECULAR WEIGHT: 312.31994
SMILES: COC(=O)C1=CC=C(C=C1)C=NNC(=O)COC2=CC=CC=C2
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Product OPENEYE NAME: N-[1-(2-furyl)ethylideneamino]decanamide
CAS Name: N-[1-(2-furanyl)ethylideneamino]decanamide
IUPAC NAME: N-[1-(furan-2-yl)ethylideneamino]decanamide
SYSTEMATIC NAME: N-[1-(furan-2-yl)ethylideneamino]decanamide
MOLECULAR FORMULA: C16H26N2O2
MOLECULAR WEIGHT: 278.38984
SMILES: CCCCCCCCCC(=O)NN=C(C)C1=CC=CO1
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