Saturday, February 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 7-methoxy-1-(naphthalene-1-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CAS Name: 7-methoxy-1-[1-naphthalenyl(oxo)methyl]-3-pyrrolo[1,2-a]quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 7-methoxy-1-(naphthalene-1-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-methoxy-1-naphthalen-1-ylcarbonyl-pyrrolo[1,2-a]quinoline-3-carboxylate
MOLECULAR FORMULA: C27H21NO4
MOLECULAR WEIGHT: 423.45994
SMILES: CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=CC5=CC=CC=C54)C=CC(=C3)OC
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Product OPENEYE NAME: ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CAS Name: 7-methoxy-1-[2-naphthalenyl(oxo)methyl]-3-pyrrolo[1,2-a]quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-methoxy-1-naphthalen-2-ylcarbonyl-pyrrolo[1,2-a]quinoline-3-carboxylate
MOLECULAR FORMULA: C27H21NO4
MOLECULAR WEIGHT: 423.45994
SMILES: CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC5=CC=CC=C5C=C4)C=CC(=C3)OC
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Product OPENEYE NAME: ethyl 7-methoxy-1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CAS Name: 7-methoxy-1-[(4-methoxyphenyl)-oxomethyl]-3-pyrrolo[1,2-a]quinolinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 7-methoxy-1-(4-methoxybenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-methoxy-1-(4-methoxyphenyl)carbonyl-pyrrolo[1,2-a]quinoline-3-carboxylate
MOLECULAR FORMULA: C24H21NO5
MOLECULAR WEIGHT: 403.42724
SMILES: CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=C(C=C4)OC)C=CC(=C3)OC
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Product OPENEYE NAME: dimethyl 4-benzyl-1-(3,4-dimethoxybenzoyl)pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylate
CAS Name: 1-[(3,4-dimethoxyphenyl)-oxomethyl]-4-(phenylmethyl)pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 4-benzyl-1-(3,4-dimethoxybenzoyl)pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 1-(3,4-dimethoxyphenyl)carbonyl-4-(phenylmethyl)pyrrolo[1,2-a]benzimidazole-2,3-dicarboxylate
MOLECULAR FORMULA: C30H26N2O7
MOLECULAR WEIGHT: 526.53664
SMILES: COC1=C(C=C(C=C1)C(=O)C2=C(C(=C3N2C4=CC=CC=C4N3CC5=CC=CC=C5)C(=O)OC)C(=O)OC)OC
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Product OPENEYE NAME: dimethyl 7-(3,4-dimethoxybenzoyl)-3-(m-tolyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CAS Name: 7-[(3,4-dimethoxyphenyl)-oxomethyl]-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
SYSTEMATIC NAME: dimethyl 7-(3,4-dimethoxyphenyl)carbonyl-3-(3-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
MOLECULAR FORMULA: C27H24N2O7
MOLECULAR WEIGHT: 488.48866
SMILES: CC1=CC=CC(=C1)C2=CC3=C(C(=C(N3C=N2)C(=O)C4=CC(=C(C=C4)OC)OC)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: dimethyl 7-(3,4-dimethoxybenzoyl)-3-(p-tolyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CAS Name: 7-[(3,4-dimethoxyphenyl)-oxomethyl]-3-(4-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 7-(3,4-dimethoxybenzoyl)-3-(4-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
SYSTEMATIC NAME: dimethyl 7-(3,4-dimethoxyphenyl)carbonyl-3-(4-methylphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
MOLECULAR FORMULA: C27H24N2O7
MOLECULAR WEIGHT: 488.48866
SMILES: CC1=CC=C(C=C1)C2=CC3=C(C(=C(N3C=N2)C(=O)C4=CC(=C(C=C4)OC)OC)C(=O)OC)C(=O)OC
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Product OPENEYE NAME: dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3,4-dimethoxyphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
CAS Name: 3-(3,4-dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)-oxomethyl]pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 7-(3,4-dimethoxybenzoyl)-3-(3,4-dimethoxyphenyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
SYSTEMATIC NAME: dimethyl 3-(3,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)carbonyl-pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
MOLECULAR FORMULA: C28H26N2O9
MOLECULAR WEIGHT: 534.51404
SMILES: COC1=C(C=C(C=C1)C2=CC3=C(C(=C(N3C=N2)C(=O)C4=CC(=C(C=C4)OC)OC)C(=O)OC)C(=O)OC)OC
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Product OPENEYE NAME: 2-iodo-N-(3-isopropylphenyl)benzamide
CAS Name: 2-iodo-N-(3-propan-2-ylphenyl)benzamide
IUPAC NAME: 2-iodo-N-(3-propan-2-ylphenyl)benzamide
SYSTEMATIC NAME: 2-iodanyl-N-(3-propan-2-ylphenyl)benzamide
MOLECULAR FORMULA: C16H16INO
MOLECULAR WEIGHT: 365.20881
SMILES: CC(C)C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2I
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Product OPENEYE NAME: 1-(4-fluorophenyl)-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethanone
CAS Name: 1-(4-fluorophenyl)-2-(4-pyridin-4-yl-1-pyridin-1-iumyl)ethanone
IUPAC NAME: 1-(4-fluorophenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone
SYSTEMATIC NAME: 1-(4-fluorophenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone
MOLECULAR FORMULA: C18H14FN2O+
MOLECULAR WEIGHT: 293.314963
SMILES: C1=CC(=CC=C1C(=O)C[N+]2=CC=C(C=C2)C3=CC=NC=C3)F
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Product OPENEYE NAME: 3-chloro-N-[1-[(2-chloro-6-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]benzothiophene-2-carboxamide
CAS Name: 3-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-1-benzothiophene-2-carboxamide
IUPAC NAME: 3-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-benzothiophene-2-carboxamide
SYSTEMATIC NAME: 3-chloranyl-N-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-1-benzothiophene-2-carboxamide
MOLECULAR FORMULA: C21H16Cl2FN3OS
MOLECULAR WEIGHT: 448.340643
SMILES: CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=O)C3=C(C4=CC=CC=C4S3)Cl
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Product OPENEYE NAME: 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-(p-tolyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Name: 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
IUPAC NAME: 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: 7-[bis(fluoranyl)methyl]-N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C22H17F3N4O
MOLECULAR WEIGHT: 410.39179
SMILES: CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)NCC4=CC=C(C=C4)F
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Product OPENEYE NAME: ethyl 6-[3-(4-bromophenyl)-3-oxo-prop-1-enyl]-2,3-dimethoxy-benzoate
CAS Name: 6-[3-(4-bromophenyl)-3-oxoprop-1-enyl]-2,3-dimethoxybenzoic acid ethyl ester
IUPAC NAME: ethyl 6-[3-(4-bromophenyl)-3-oxoprop-1-enyl]-2,3-dimethoxybenzoate
SYSTEMATIC NAME: ethyl 6-[3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]-2,3-dimethoxy-benzoate
MOLECULAR FORMULA: C20H19BrO5
MOLECULAR WEIGHT: 419.26586
SMILES: CCOC(=O)C1=C(C=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: 3-(2-chloro-4-methyl-phenyl)-1-[(4-methoxyphenyl)methyl]-1-(3-morpholinopropyl)thiourea
CAS Name: 3-(2-chloro-4-methylphenyl)-1-[(4-methoxyphenyl)methyl]-1-[3-(4-morpholinyl)propyl]thiourea
IUPAC NAME: 3-(2-chloro-4-methylphenyl)-1-[(4-methoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
SYSTEMATIC NAME: 3-(2-chloranyl-4-methyl-phenyl)-1-[(4-methoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
MOLECULAR FORMULA: C23H30ClN3O2S
MOLECULAR WEIGHT: 448.0212
SMILES: CC1=CC(=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=C(C=C3)OC)Cl
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Product OPENEYE NAME: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-(1-methyl-4-piperidyl)thiourea
CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-(1-methyl-4-piperidinyl)thiourea
IUPAC NAME: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)thiourea
SYSTEMATIC NAME: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)thiourea
MOLECULAR FORMULA: C25H35N3O3S
MOLECULAR WEIGHT: 457.6287
SMILES: CN1CCC(CC1)N(CCC2=CC(=C(C=C2)OC)OC)C(=S)NCC3=CC=C(C=C3)OC
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Product OPENEYE NAME: 3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethylidene]piperazin-2-one
CAS Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-2-piperazinone
IUPAC NAME: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]piperazin-2-one
SYSTEMATIC NAME: 3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethylidene]piperazin-2-one
MOLECULAR FORMULA: C14H16N2O4
MOLECULAR WEIGHT: 276.28784
SMILES: COC1=C(C=C(C=C1)C(=O)C=C2C(=O)NCCN2)OC
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Product OPENEYE NAME: [diphenyl-[2-(2-trityloxyethoxy)ethoxy]methyl]benzene
CAS Name: [diphenyl-[2-[2-(triphenylmethyl)oxyethoxy]ethoxy]methyl]benzene
IUPAC NAME: [diphenyl-[2-(2-trityloxyethoxy)ethoxy]methyl]benzene
SYSTEMATIC NAME: [diphenyl-[2-[2-(triphenylmethyl)oxyethoxy]ethoxy]methyl]benzene
MOLECULAR FORMULA: C42H38O3
MOLECULAR WEIGHT: 590.74932
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCOCCOC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
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Product OPENEYE NAME: methyl 7-chloro-4-(2-fluorophenyl)-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine-2-carboxylate
CAS Name: 7-chloro-4-(2-fluorophenyl)-2-(trifluoromethyl)-2-pyrido[1,2-a][1,3,5]triazinecarboxylic acid methyl ester
IUPAC NAME: methyl 7-chloro-4-(2-fluorophenyl)-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine-2-carboxylate
SYSTEMATIC NAME: methyl 7-chloranyl-4-(2-fluorophenyl)-2-(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine-2-carboxylate
MOLECULAR FORMULA: C16H10ClF4N3O2
MOLECULAR WEIGHT: 387.716113
SMILES: COC(=O)C1(N=C2C=CC(=CN2C(=N1)C3=CC=CC=C3F)Cl)C(F)(F)F
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Product OPENEYE NAME: N-[4-[4-(naphthalene-1-carbonylamino)phenoxy]phenyl]naphthalene-1-carboxamide
CAS Name: N-[4-[4-[[1-naphthalenyl(oxo)methyl]amino]phenoxy]phenyl]-1-naphthalenecarboxamide
IUPAC NAME: N-[4-[4-(naphthalene-1-carbonylamino)phenoxy]phenyl]naphthalene-1-carboxamide
SYSTEMATIC NAME: N-[4-[4-(naphthalen-1-ylcarbonylamino)phenoxy]phenyl]naphthalene-1-carboxamide
MOLECULAR FORMULA: C34H24N2O3
MOLECULAR WEIGHT: 508.56596
SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=C(C=C3)OC4=CC=C(C=C4)NC(=O)C5=CC=CC6=CC=CC=C65
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