Tuesday, January 24, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [4-[[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-triazole-4-carbonyl]hydrazono]methyl]-2-ethoxy-phenyl] 4-fluorobenzoate
CAS Name: 4-fluorobenzoic acid [4-[[[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-4-triazolyl]-oxomethyl]hydrazinylidene]methyl]-2-ethoxyphenyl] ester
IUPAC NAME: [4-[[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-fluorobenzoate
SYSTEMATIC NAME: [4-[[[3-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-phenyl-1,2,3-triazol-4-yl]carbonylhydrazinylidene]methyl]-2-ethoxy-phenyl] 4-fluoranylbenzoate
MOLECULAR FORMULA: C27H21FN8O5
MOLECULAR WEIGHT: 556.504643
SMILES: CCOC1=C(C=CC(=C1)C=NNC(=O)C2=C(N=NN2C3=NON=C3N)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)F
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Product OPENEYE NAME: [4-[[(3-chlorobenzoyl)hydrazono]methyl]phenyl] 2,4-dichlorobenzoate
CAS Name: 2,4-dichlorobenzoic acid [4-[[[(3-chlorophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-[[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SYSTEMATIC NAME: [4-[[(3-chlorophenyl)carbonylhydrazinylidene]methyl]phenyl] 2,4-bis(chloranyl)benzoate
MOLECULAR FORMULA: C21H13Cl3N2O3
MOLECULAR WEIGHT: 447.69852
SMILES: C1=CC(=CC(=C1)Cl)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 1-[[4-(dimethylamino)phenyl]methyleneamino]-3-ethyl-thiourea
CAS Name: 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-ethylthiourea
IUPAC NAME: 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-ethylthiourea
SYSTEMATIC NAME: 1-[[4-(dimethylamino)phenyl]methylideneamino]-3-ethyl-thiourea
MOLECULAR FORMULA: C12H18N4S
MOLECULAR WEIGHT: 250.36312
SMILES: CCNC(=S)NN=CC1=CC=C(C=C1)N(C)C
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Product OPENEYE NAME: 2-[4-(2-furyl)pyrimidin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-[4-(2-furanyl)-1-pyrimidin-1-iumyl]-N-[3-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[4-(furan-2-yl)pyrimidin-1-ium-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C17H13F3N3O2+
MOLECULAR WEIGHT: 348.29923
SMILES: C1=CC(=CC(=C1)NC(=O)C[N+]2=CN=C(C=C2)C3=CC=CO3)C(F)(F)F
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Product OPENEYE NAME: [3-(4-chlorobenzoyl)oxy-4-[[(3,4,5-trimethoxybenzoyl)hydrazono]methyl]phenyl] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [3-[(4-chlorophenyl)-oxomethoxy]-4-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [3-(4-chlorobenzoyl)oxy-4-[[(3,4,5-trimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
SYSTEMATIC NAME: [3-(4-chlorophenyl)carbonyloxy-4-[[(3,4,5-trimethoxyphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-chloranylbenzoate
MOLECULAR FORMULA: C31H24Cl2N2O8
MOLECULAR WEIGHT: 623.43686
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: [3-(4-chlorobenzoyl)oxy-4-[[[2-(4-methylphenoxy)acetyl]hydrazono]methyl]phenyl] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [3-[(4-chlorophenyl)-oxomethoxy]-4-[[[2-(4-methylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [3-(4-chlorobenzoyl)oxy-4-[[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
SYSTEMATIC NAME: [3-(4-chlorophenyl)carbonyloxy-4-[[2-(4-methylphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 4-chloranylbenzoate
MOLECULAR FORMULA: C30H22Cl2N2O6
MOLECULAR WEIGHT: 577.41148
SMILES: CC1=CC=C(C=C1)OCC(=O)NN=CC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: [4-bromo-2-[[(4-methoxyphenyl)carbamothioylhydrazono]methyl]phenyl] 3-methylbenzoate
CAS Name: 3-methylbenzoic acid [4-bromo-2-[[[(4-methoxyanilino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-bromo-2-[[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-methylbenzoate
SYSTEMATIC NAME: [4-bromanyl-2-[[(4-methoxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl] 3-methylbenzoate
MOLECULAR FORMULA: C23H20BrN3O3S
MOLECULAR WEIGHT: 498.3922
SMILES: CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=S)NC3=CC=C(C=C3)OC
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Product OPENEYE NAME: [4-[(benzenesulfonylhydrazono)methyl]-2-methoxy-phenyl] 4-ethoxybenzoate
CAS Name: 4-ethoxybenzoic acid [4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] ester
IUPAC NAME: [4-[(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 4-ethoxybenzoate
SYSTEMATIC NAME: [2-methoxy-4-[(phenylsulfonylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
MOLECULAR FORMULA: C23H22N2O6S
MOLECULAR WEIGHT: 454.49558
SMILES: CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNS(=O)(=O)C3=CC=CC=C3)OC
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Product OPENEYE NAME: N-[[4-(trifluoromethoxy)phenyl]carbamothioyl]furan-2-carboxamide
CAS Name: N-[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]-2-furancarboxamide
IUPAC NAME: N-[[4-(trifluoromethoxy)phenyl]carbamothioyl]furan-2-carboxamide
SYSTEMATIC NAME: N-[[4-(trifluoromethyloxy)phenyl]carbamothioyl]furan-2-carboxamide
MOLECULAR FORMULA: C13H9F3N2O3S
MOLECULAR WEIGHT: 330.28237
SMILES: C1=COC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC(F)(F)F
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Product OPENEYE NAME: [5-(6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxy-phenyl] benzoate
CAS Name: benzoic acid [5-(6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenyl] ester
IUPAC NAME: [5-(6-amino-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenyl] benzoate
SYSTEMATIC NAME: [5-(6-azanyl-5-cyano-3-propyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxy-phenyl] benzoate
MOLECULAR FORMULA: C24H22N4O4
MOLECULAR WEIGHT: 430.45588
SMILES: CCCC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC)OC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[4-[(2-allyloxy-1-naphthyl)methylene]-2,5-dioxo-imidazolidin-1-yl]-N-(p-tolyl)acetamide
CAS Name: 2-[2,5-dioxo-4-[(2-prop-2-enoxy-1-naphthalenyl)methylidene]-1-imidazolidinyl]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[2,5-dioxo-4-[(2-prop-2-enoxynaphthalen-1-yl)methylidene]imidazolidin-1-yl]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[2,5-bis(oxidanylidene)-4-[(2-prop-2-enoxynaphthalen-1-yl)methylidene]imidazolidin-1-yl]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C26H23N3O4
MOLECULAR WEIGHT: 441.47852
SMILES: CC1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=C(C=CC4=CC=CC=C43)OCC=C)NC2=O
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Product OPENEYE NAME: 1-(6-hydroxy-7-methyl-2,3-diphenyl-benzofuran-5-yl)ethanone
CAS Name: 1-(6-hydroxy-7-methyl-2,3-diphenyl-5-benzofuranyl)ethanone
IUPAC NAME: 1-(6-hydroxy-7-methyl-2,3-diphenyl-1-benzofuran-5-yl)ethanone
SYSTEMATIC NAME: 1-(7-methyl-6-oxidanyl-2,3-diphenyl-1-benzofuran-5-yl)ethanone
MOLECULAR FORMULA: C23H18O3
MOLECULAR WEIGHT: 342.38722
SMILES: CC1=C2C(=CC(=C1O)C(=O)C)C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
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