Monday, January 23, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [4-[(2-iodophenyl)iminomethyl]phenyl] 4-pentoxybenzoate
CAS Name: 4-pentoxybenzoic acid [4-[(2-iodophenyl)iminomethyl]phenyl] ester
IUPAC NAME: [4-[(2-iodophenyl)iminomethyl]phenyl] 4-pentoxybenzoate
SYSTEMATIC NAME: [4-[(2-iodanylphenyl)iminomethyl]phenyl] 4-pentoxybenzoate
MOLECULAR FORMULA: C25H24INO3
MOLECULAR WEIGHT: 513.36743
SMILES: CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CC=CC=C3I
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Product OPENEYE NAME: 1-methoxy-4-(1-phenylsulfanylcyclopropyl)sulfanyl-benzene
CAS Name: 1-methoxy-4-[[1-(phenylthio)cyclopropyl]thio]benzene
IUPAC NAME: 1-methoxy-4-(1-phenylsulfanylcyclopropyl)sulfanylbenzene
SYSTEMATIC NAME: 1-methoxy-4-(1-phenylsulfanylcyclopropyl)sulfanyl-benzene
MOLECULAR FORMULA: C16H16OS2
MOLECULAR WEIGHT: 288.42764
SMILES: COC1=CC=C(C=C1)SC2(CC2)SC3=CC=CC=C3
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Product OPENEYE NAME: [4-[(benzenesulfonylhydrazono)methyl]phenyl] 2-fluorobenzoate
CAS Name: 2-fluorobenzoic acid [4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] ester
IUPAC NAME: [4-[(benzenesulfonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
SYSTEMATIC NAME: [4-[(phenylsulfonylhydrazinylidene)methyl]phenyl] 2-fluoranylbenzoate
MOLECULAR FORMULA: C20H15FN2O4S
MOLECULAR WEIGHT: 398.407503
SMILES: C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyleneamino]-5-phenyl-triazole-4-carboxamide
CAS Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-5-phenyl-4-triazolecarboxamide
IUPAC NAME: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-5-phenyltriazole-4-carboxamide
SYSTEMATIC NAME: 3-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-ethoxy-phenyl]methylideneamino]-5-phenyl-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C27H22BrClN8O4
MOLECULAR WEIGHT: 637.87178
SMILES: CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=C(N=NN2C3=NON=C3N)C4=CC=CC=C4)Br)OCC5=CC=C(C=C5)Cl
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Product OPENEYE NAME: [4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazono]methyl]phenyl] 2,4-dichlorobenzoate
CAS Name: 2,4-dichlorobenzoic acid [4-[[[(3-hydroxy-2-naphthalenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SYSTEMATIC NAME: [4-[[(3-oxidanylnaphthalen-2-yl)carbonylhydrazinylidene]methyl]phenyl] 2,4-bis(chloranyl)benzoate
MOLECULAR FORMULA: C25H16Cl2N2O4
MOLECULAR WEIGHT: 479.31154
SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl)O
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Product OPENEYE NAME: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-(2-naphthyl)ethanone
CAS Name: 2-[4-(2,4-dimethylphenyl)-1-pyrimidin-1-iumyl]-1-(2-naphthalenyl)ethanone
IUPAC NAME: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-2-ylethanone
SYSTEMATIC NAME: 2-[4-(2,4-dimethylphenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-2-yl-ethanone
MOLECULAR FORMULA: C24H21N2O+
MOLECULAR WEIGHT: 353.43634
SMILES: CC1=CC(=C(C=C1)C2=NC=[N+](C=C2)CC(=O)C3=CC4=CC=CC=C4C=C3)C
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Product OPENEYE NAME: [1-[(dodecanoylhydrazono)methyl]-2-naphthyl] 4-methoxybenzoate
CAS Name: 4-methoxybenzoic acid [1-[(1-oxododecylhydrazinylidene)methyl]-2-naphthalenyl] ester
IUPAC NAME: [1-[(dodecanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-methoxybenzoate
SYSTEMATIC NAME: [1-[(dodecanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-methoxybenzoate
MOLECULAR FORMULA: C31H38N2O4
MOLECULAR WEIGHT: 502.64442
SMILES: CCCCCCCCCCCC(=O)NN=CC1=C(C=CC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: [1-[[[2-(4-butylphenoxy)acetyl]hydrazono]methyl]-2-naphthyl] 2,4-dichlorobenzoate
CAS Name: 2,4-dichlorobenzoic acid [1-[[[2-(4-butylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]-2-naphthalenyl] ester
IUPAC NAME: [1-[[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
SYSTEMATIC NAME: [1-[[2-(4-butylphenoxy)ethanoylhydrazinylidene]methyl]naphthalen-2-yl] 2,4-bis(chloranyl)benzoate
MOLECULAR FORMULA: C30H26Cl2N2O4
MOLECULAR WEIGHT: 549.44444
SMILES: CCCCC1=CC=C(C=C1)OCC(=O)NN=CC2=C(C=CC3=CC=CC=C32)OC(=O)C4=C(C=C(C=C4)Cl)Cl
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Product OPENEYE NAME: [4-bromo-2-[[2-(4-nitrophenoxy)propanoylhydrazono]methyl]phenyl] 3,4-dimethoxybenzoate
CAS Name: 3,4-dimethoxybenzoic acid [4-bromo-2-[[[2-(4-nitrophenoxy)-1-oxopropyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-bromo-2-[[2-(4-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
SYSTEMATIC NAME: [4-bromanyl-2-[[2-(4-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
MOLECULAR FORMULA: C25H22BrN3O8
MOLECULAR WEIGHT: 572.36148
SMILES: CC(C(=O)NN=CC1=C(C=CC(=C1)Br)OC(=O)C2=CC(=C(C=C2)OC)OC)OC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [4-[[2-(4-benzyloxyphenoxy)propanoylhydrazono]methyl]-2-ethoxy-phenyl] 4-ethoxybenzoate
CAS Name: 4-ethoxybenzoic acid [2-ethoxy-4-[[[1-oxo-2-(4-phenylmethoxyphenoxy)propyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [2-ethoxy-4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
SYSTEMATIC NAME: [2-ethoxy-4-[[2-(4-phenylmethoxyphenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
MOLECULAR FORMULA: C34H34N2O7
MOLECULAR WEIGHT: 582.64296
SMILES: CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)C(C)OC3=CC=C(C=C3)OCC4=CC=CC=C4)OCC
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Product OPENEYE NAME: N-[(2,4-dimethylphenyl)carbamothioyl]-3-methyl-furan-2-carboxamide
CAS Name: N-[(2,4-dimethylanilino)-sulfanylidenemethyl]-3-methyl-2-furancarboxamide
IUPAC NAME: N-[(2,4-dimethylphenyl)carbamothioyl]-3-methylfuran-2-carboxamide
SYSTEMATIC NAME: N-[(2,4-dimethylphenyl)carbamothioyl]-3-methyl-furan-2-carboxamide
MOLECULAR FORMULA: C15H16N2O2S
MOLECULAR WEIGHT: 288.36474
SMILES: CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=CO2)C)C
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Product OPENEYE NAME: N-[6-(diallylsulfamoyl)-1,3-benzothiazol-2-yl]-3,4-diethoxy-benzamide
CAS Name: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3,4-diethoxybenzamide
IUPAC NAME: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3,4-diethoxybenzamide
SYSTEMATIC NAME: N-[6-[bis(prop-2-enyl)sulfamoyl]-1,3-benzothiazol-2-yl]-3,4-diethoxy-benzamide
MOLECULAR FORMULA: C24H27N3O5S2
MOLECULAR WEIGHT: 501.61828
SMILES: CCOC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N(CC=C)CC=C)OCC
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Product OPENEYE NAME: 2-methyl-N-[4-(2-pyridyl)thiazol-2-yl]quinoline-7-carboxamide
CAS Name: 2-methyl-N-[4-(2-pyridinyl)-2-thiazolyl]-7-quinolinecarboxamide
IUPAC NAME: 2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)quinoline-7-carboxamide
SYSTEMATIC NAME: 2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)quinoline-7-carboxamide
MOLECULAR FORMULA: C19H14N4OS
MOLECULAR WEIGHT: 346.40566
SMILES: CC1=NC2=C(C=C1)C=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=N4
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Product OPENEYE NAME: ethyl 2-[[2-[2-(3-methylanilino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]propanoate
CAS Name: 2-[[2-[2-(3-methylanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester
IUPAC NAME: ethyl 2-[2-[2-(3-methylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
SYSTEMATIC NAME: ethyl 2-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate
MOLECULAR FORMULA: C23H24N2O5
MOLECULAR WEIGHT: 408.44706
SMILES: CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=CC(=C3)C
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Product OPENEYE NAME: N-(4-butylphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(4-butylphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(4-butylphenyl)-2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: 2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)ethanamide
MOLECULAR FORMULA: C26H28N6O4S
MOLECULAR WEIGHT: 520.60332
SMILES: CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)CC4=CC(=O)NC(=O)N4
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