Sunday, February 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [4-[[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxo-acetyl]hydrazono]methyl]phenyl] 4-chlorobenzoate
CAS Name: 4-chlorobenzoic acid [4-[[[2-[2-[4-morpholinyl(oxo)methyl]anilino]-1,2-dioxoethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-[[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
SYSTEMATIC NAME: [4-[[[2-[(2-morpholin-4-ylcarbonylphenyl)amino]-2-oxidanylidene-ethanoyl]hydrazinylidene]methyl]phenyl] 4-chloranylbenzoate
MOLECULAR FORMULA: C27H23ClN4O6
MOLECULAR WEIGHT: 534.94772
SMILES: C1COCCN1C(=O)C2=CC=CC=C2NC(=O)C(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 9-methyl-9H-fluorene-2-carbonitrile
CAS Name: 9-methyl-9H-fluorene-2-carbonitrile
IUPAC NAME: 9-methyl-9H-fluorene-2-carbonitrile
SYSTEMATIC NAME: 9-methyl-9H-fluorene-2-carbonitrile
MOLECULAR FORMULA: C15H11N
MOLECULAR WEIGHT: 205.25454
SMILES: CC1C2=CC=CC=C2C3=C1C=C(C=C3)C#N
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Product OPENEYE NAME: 3-[5-chloro-2-[3-(5,6-dibromo-1,3-diethyl-benzimidazol-2-ylidene)prop-1-enyl]-6-ethoxycarbonyl-3-ethyl-benzimidazol-1-ium-1-yl]propane-1-sulfonate
CAS Name: 3-[5-chloro-2-[3-(5,6-dibromo-1,3-diethyl-2-benzimidazolylidene)prop-1-enyl]-6-ethoxycarbonyl-3-ethyl-1-benzimidazol-1-iumyl]-1-propanesulfonate
IUPAC NAME: 3-[5-chloro-2-[3-(5,6-dibromo-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-6-ethoxycarbonyl-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonate
SYSTEMATIC NAME: 3-[2-[3-[5,6-bis(bromanyl)-1,3-diethyl-benzimidazol-2-ylidene]prop-1-enyl]-5-chloranyl-6-ethoxycarbonyl-3-ethyl-benzimidazol-1-ium-1-yl]propane-1-sulfonate
MOLECULAR FORMULA: C29H33Br2ClN4O5S
MOLECULAR WEIGHT: 744.92212
SMILES: CCN1C2=CC(=C(C=C2N(C1=CC=CC3=[N+](C4=C(N3CC)C=C(C(=C4)C(=O)OCC)Cl)CCCS(=O)(=O)[O-])CC)Br)Br
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Product OPENEYE NAME: 3-[5-chloro-2-[3-(5,6-dibromo-1,3-diethyl-benzimidazol-2-ylidene)prop-1-enyl]-6-ethoxycarbonyl-3-ethyl-benzimidazol-1-ium-1-yl]propane-1-sulfonic acid
CAS Name: 3-[5-chloro-2-[3-(5,6-dibromo-1,3-diethyl-2-benzimidazolylidene)prop-1-enyl]-6-ethoxycarbonyl-3-ethyl-1-benzimidazol-1-iumyl]-1-propanesulfonic acid
IUPAC NAME: 3-[5-chloro-2-[3-(5,6-dibromo-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-6-ethoxycarbonyl-3-ethylbenzimidazol-1-ium-1-yl]propane-1-sulfonic acid
SYSTEMATIC NAME: 3-[2-[3-[5,6-bis(bromanyl)-1,3-diethyl-benzimidazol-2-ylidene]prop-1-enyl]-5-chloranyl-6-ethoxycarbonyl-3-ethyl-benzimidazol-1-ium-1-yl]propane-1-sulfonic acid
MOLECULAR FORMULA: C29H34Br2ClN4O5S+
MOLECULAR WEIGHT: 745.93006
SMILES: CCN1C2=CC(=C(C=C2N(C1=CC=CC3=[N+](C4=C(N3CC)C=C(C(=C4)C(=O)OCC)Cl)CCCS(=O)(=O)O)CC)Br)Br
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Product OPENEYE NAME: 1-[2-(dimethylamino)phenyl]-3-(o-tolyl)prop-2-en-1-one
CAS Name: 1-[2-(dimethylamino)phenyl]-3-(2-methylphenyl)-2-propen-1-one
IUPAC NAME: 1-[2-(dimethylamino)phenyl]-3-(2-methylphenyl)prop-2-en-1-one
SYSTEMATIC NAME: 1-[2-(dimethylamino)phenyl]-3-(2-methylphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C18H19NO
MOLECULAR WEIGHT: 265.34956
SMILES: CC1=CC=CC=C1C=CC(=O)C2=CC=CC=C2N(C)C
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Product OPENEYE NAME: 5-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid
CAS Name: 5-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid
IUPAC NAME: 5-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid
SYSTEMATIC NAME: 5-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]benzene-1,3-dicarboxylic acid
MOLECULAR FORMULA: C17H13ClN2O4
MOLECULAR WEIGHT: 344.74912
SMILES: C1CN(N=C1C2=CC=C(C=C2)Cl)C3=CC(=CC(=C3)C(=O)O)C(=O)O
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Product OPENEYE NAME: methyl 2-[[2-[2-[1-[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]ethylidene]hydrazino]-2-oxo-acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CAS Name: 2-[[2-[2-[1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]-1,2-dioxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester
IUPAC NAME: methyl 2-[[2-[2-[1-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]ethylidene]hydrazinyl]-2-oxoacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[[2-[2-[1-[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]ethylidene]hydrazinyl]-2-oxidanylidene-ethanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C26H23N5O10S
MOLECULAR WEIGHT: 597.55332
SMILES: CC(=NNC(=O)C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OC)C3=CC(=C(C=C3)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])OC
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Product OPENEYE NAME: ethyl 2-[[2-[2-[1-[4-(4-nitrobenzoyl)oxyphenyl]ethylidene]hydrazino]-2-oxo-acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CAS Name: 2-[[2-[2-[1-[4-[(4-nitrophenyl)-oxomethoxy]phenyl]ethylidene]hydrazinyl]-1,2-dioxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[[2-[2-[1-[4-(4-nitrobenzoyl)oxyphenyl]ethylidene]hydrazinyl]-2-oxoacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[[2-[2-[1-[4-(4-nitrophenyl)carbonyloxyphenyl]ethylidene]hydrazinyl]-2-oxidanylidene-ethanoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C29H28N4O8S
MOLECULAR WEIGHT: 592.61962
SMILES: CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(=O)NN=C(C)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 3-(8-quinolyl)benzoate
CAS Name: 3-(8-quinolinyl)benzoic acid methyl ester
IUPAC NAME: methyl 3-quinolin-8-ylbenzoate
SYSTEMATIC NAME: methyl 3-quinolin-8-ylbenzoate
MOLECULAR FORMULA: C17H13NO2
MOLECULAR WEIGHT: 263.29062
SMILES: COC(=O)C1=CC=CC(=C1)C2=CC=CC3=C2N=CC=C3
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Product OPENEYE NAME: 4-(8-quinolyl)benzaldehyde
CAS Name: 4-(8-quinolinyl)benzaldehyde
IUPAC NAME: 4-quinolin-8-ylbenzaldehyde
SYSTEMATIC NAME: 4-quinolin-8-ylbenzaldehyde
MOLECULAR FORMULA: C16H11NO
MOLECULAR WEIGHT: 233.26464
SMILES: C1=CC2=C(C(=C1)C3=CC=C(C=C3)C=O)N=CC=C2
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Product OPENEYE NAME: 3-(8-quinolyl)benzaldehyde
CAS Name: 3-(8-quinolinyl)benzaldehyde
IUPAC NAME: 3-quinolin-8-ylbenzaldehyde
SYSTEMATIC NAME: 3-quinolin-8-ylbenzaldehyde
MOLECULAR FORMULA: C16H11NO
MOLECULAR WEIGHT: 233.26464
SMILES: C1=CC2=C(C(=C1)C3=CC(=CC=C3)C=O)N=CC=C2
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Product OPENEYE NAME: 8-(p-tolyl)quinoline
CAS Name: 8-(4-methylphenyl)quinoline
IUPAC NAME: 8-(4-methylphenyl)quinoline
SYSTEMATIC NAME: 8-(4-methylphenyl)quinoline
MOLECULAR FORMULA: C16H13N
MOLECULAR WEIGHT: 219.28112
SMILES: CC1=CC=C(C=C1)C2=CC=CC3=C2N=CC=C3
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Product OPENEYE NAME: 8-(m-tolyl)quinoline
CAS Name: 8-(3-methylphenyl)quinoline
IUPAC NAME: 8-(3-methylphenyl)quinoline
SYSTEMATIC NAME: 8-(3-methylphenyl)quinoline
MOLECULAR FORMULA: C16H13N
MOLECULAR WEIGHT: 219.28112
SMILES: CC1=CC=CC(=C1)C2=CC=CC3=C2N=CC=C3
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Product OPENEYE NAME: 8-(4-methoxyphenyl)quinoline
CAS Name: 8-(4-methoxyphenyl)quinoline
IUPAC NAME: 8-(4-methoxyphenyl)quinoline
SYSTEMATIC NAME: 8-(4-methoxyphenyl)quinoline
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: COC1=CC=C(C=C1)C2=CC=CC3=C2N=CC=C3
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Product OPENEYE NAME: 8-(3-methoxyphenyl)quinoline
CAS Name: 8-(3-methoxyphenyl)quinoline
IUPAC NAME: 8-(3-methoxyphenyl)quinoline
SYSTEMATIC NAME: 8-(3-methoxyphenyl)quinoline
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: COC1=CC=CC(=C1)C2=CC=CC3=C2N=CC=C3
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Product OPENEYE NAME: 4-(8-quinolyl)benzonitrile
CAS Name: 4-(8-quinolinyl)benzonitrile
IUPAC NAME: 4-quinolin-8-ylbenzonitrile
SYSTEMATIC NAME: 4-quinolin-8-ylbenzenecarbonitrile
MOLECULAR FORMULA: C16H10N2
MOLECULAR WEIGHT: 230.264
SMILES: C1=CC2=C(C(=C1)C3=CC=C(C=C3)C#N)N=CC=C2
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Product OPENEYE NAME: 3-(8-quinolyl)benzonitrile
CAS Name: 3-(8-quinolinyl)benzonitrile
IUPAC NAME: 3-quinolin-8-ylbenzonitrile
SYSTEMATIC NAME: 3-quinolin-8-ylbenzenecarbonitrile
MOLECULAR FORMULA: C16H10N2
MOLECULAR WEIGHT: 230.264
SMILES: C1=CC2=C(C(=C1)C3=CC=CC(=C3)C#N)N=CC=C2
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Product OPENEYE NAME: 8-(4-chlorophenyl)quinoline
CAS Name: 8-(4-chlorophenyl)quinoline
IUPAC NAME: 8-(4-chlorophenyl)quinoline
SYSTEMATIC NAME: 8-(4-chlorophenyl)quinoline
MOLECULAR FORMULA: C15H10ClN
MOLECULAR WEIGHT: 239.6996
SMILES: C1=CC2=C(C(=C1)C3=CC=C(C=C3)Cl)N=CC=C2
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Product OPENEYE NAME: 8-(3-chlorophenyl)quinoline
CAS Name: 8-(3-chlorophenyl)quinoline
IUPAC NAME: 8-(3-chlorophenyl)quinoline
SYSTEMATIC NAME: 8-(3-chlorophenyl)quinoline
MOLECULAR FORMULA: C15H10ClN
MOLECULAR WEIGHT: 239.6996
SMILES: C1=CC2=C(C(=C1)C3=CC(=CC=C3)Cl)N=CC=C2
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