Friday, July 6, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (E)-2-(3,5-diphenyl-2H-1,2,4-triazin-1-yl)-N,N-dimethyl-ethenamine
CAS Name: (E)-2-(3,5-diphenyl-2H-1,2,4-triazin-1-yl)-N,N-dimethylethenamine
IUPAC NAME: (E)-2-(3,5-diphenyl-2H-1,2,4-triazin-1-yl)-N,N-dimethylethenamine
SYSTEMATIC NAME: (E)-2-(3,5-diphenyl-2H-1,2,4-triazin-1-yl)-N,N-dimethyl-ethenamine
MOLECULAR FORMULA: C19H20N4
MOLECULAR WEIGHT: 304.3889
SMILES: CN(C)/C=C/N1C=C(N=C(N1)C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: (E)-N,N-dimethyl-2-(2-quinolyl)ethenamine
CAS Name: (E)-N,N-dimethyl-2-(2-quinolinyl)ethenamine
IUPAC NAME: (E)-N,N-dimethyl-2-quinolin-2-ylethenamine
SYSTEMATIC NAME: (E)-N,N-dimethyl-2-quinolin-2-yl-ethenamine
MOLECULAR FORMULA: C13H14N2
MOLECULAR WEIGHT: 198.26366
SMILES: CN(C)/C=C/C1=NC2=CC=CC=C2C=C1
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Product OPENEYE NAME: (E)-2-(8-chloro-7-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N,N-dimethyl-ethenamine
CAS Name: (E)-2-(8-chloro-7-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N,N-dimethylethenamine
IUPAC NAME: (E)-2-(8-chloro-7-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N,N-dimethylethenamine
SYSTEMATIC NAME: (E)-2-(8-chloranyl-7-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N,N-dimethyl-ethenamine
MOLECULAR FORMULA: C10H12ClN5
MOLECULAR WEIGHT: 237.68878
SMILES: CC1=C(C2=NN=CN2N=C1/C=C/N(C)C)Cl
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Product OPENEYE NAME: N,N,4-trimethylpyrimidin-2-amine
CAS Name: N,N,4-trimethyl-2-pyrimidinamine
IUPAC NAME: N,N,4-trimethylpyrimidin-2-amine
SYSTEMATIC NAME: N,N,4-trimethylpyrimidin-2-amine
MOLECULAR FORMULA: C7H11N3
MOLECULAR WEIGHT: 137.18234
SMILES: CC1=NC(=NC=C1)N(C)C
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Product OPENEYE NAME: N-[(Z)-2-methyldec-1-enyl]hydroxylamine
CAS Name: N-[(Z)-2-methyldec-1-enyl]hydroxylamine
IUPAC NAME: N-[(Z)-2-methyldec-1-enyl]hydroxylamine
SYSTEMATIC NAME: N-[(Z)-2-methyldec-1-enyl]hydroxylamine
MOLECULAR FORMULA: C11H23NO
MOLECULAR WEIGHT: 185.30642
SMILES: CCCCCCCC/C(=C\NO)/C
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Product OPENEYE NAME: dimethyl 3-(1,3-dimethylindol-2-yl)-4,5-dihydroisoxazole-4,5-dicarboxylate
CAS Name: 3-(1,3-dimethyl-2-indolyl)-4,5-dihydroisoxazole-4,5-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 3-(1,3-dimethylindol-2-yl)-4,5-dihydro-1,2-oxazole-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 3-(1,3-dimethylindol-2-yl)-4,5-dihydro-1,2-oxazole-4,5-dicarboxylate
MOLECULAR FORMULA: C17H18N2O5
MOLECULAR WEIGHT: 330.33522
SMILES: CC1=C(N(C2=CC=CC=C12)C)C3=NOC(C3C(=O)OC)C(=O)OC
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Product OPENEYE NAME: dimethyl 3-(1,3-dimethyl-2-oxo-indolin-3-yl)-4,5-dihydroisoxazole-4,5-dicarboxylate
CAS Name: 3-(1,3-dimethyl-2-oxo-3-indolyl)-4,5-dihydroisoxazole-4,5-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 3-(1,3-dimethyl-2-oxoindol-3-yl)-4,5-dihydro-1,2-oxazole-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 3-(1,3-dimethyl-2-oxidanylidene-indol-3-yl)-4,5-dihydro-1,2-oxazole-4,5-dicarboxylate
MOLECULAR FORMULA: C17H18N2O6
MOLECULAR WEIGHT: 346.33462
SMILES: CC1(C2=CC=CC=C2N(C1=O)C)C3=NOC(C3C(=O)OC)C(=O)OC
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Product OPENEYE NAME: 3-(1,3-dimethyl-2-oxo-indolin-3-yl)-5-methyl-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione
CAS Name: 3-(1,3-dimethyl-2-oxo-3-indolyl)-5-methyl-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione
IUPAC NAME: 3-(1,3-dimethyl-2-oxoindol-3-yl)-5-methyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
SYSTEMATIC NAME: 3-(1,3-dimethyl-2-oxidanylidene-indol-3-yl)-5-methyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
MOLECULAR FORMULA: C16H15N3O4
MOLECULAR WEIGHT: 313.308
SMILES: CC1(C2=CC=CC=C2N(C1=O)C)C3=NOC4C3C(=O)N(C4=O)C
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Product OPENEYE NAME: (1E)-N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzenecarboximidate
CAS Name: (1E)-N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitrobenzenecarboximidate
IUPAC NAME: (1E)-N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitrobenzenecarboximidate
SYSTEMATIC NAME: (1E)-N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzenecarboximidate
MOLECULAR FORMULA: C27H18ClN5O3
MOLECULAR WEIGHT: 495.91652
SMILES: C1=CC=C(C=C1)C2=[N+](N=C(N2/N=C(\C3=CC=C(C=C3)[N+](=O)[O-])/[O-])C4=CC=C(C=C4)Cl)C5=CC=CC=C5
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Product OPENEYE NAME: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzamide
CAS Name: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitrobenzamide
IUPAC NAME: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitrobenzamide
SYSTEMATIC NAME: N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]-4-nitro-benzamide
MOLECULAR FORMULA: C27H19ClN5O3+
MOLECULAR WEIGHT: 496.92446
SMILES: C1=CC=C(C=C1)C2=[N+](N=C(N2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl)C5=CC=CC=C5
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Product OPENEYE NAME: N-[(Z)-[2-(N-[(4-chlorobenzoyl)amino]anilino)-2-oxo-1-phenyl-ethylidene]amino]-4-nitro-benzamide
CAS Name: N-[(Z)-[2-(N-[[(4-chlorophenyl)-oxomethyl]amino]anilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide
IUPAC NAME: N-[(Z)-[2-(N-[(4-chlorobenzoyl)amino]anilino)-2-oxo-1-phenylethylidene]amino]-4-nitrobenzamide
SYSTEMATIC NAME: N-[(Z)-[2-[[(4-chlorophenyl)carbonylamino]-phenyl-amino]-2-oxidanylidene-1-phenyl-ethylidene]amino]-4-nitro-benzamide
MOLECULAR FORMULA: C28H20ClN5O5
MOLECULAR WEIGHT: 541.9419
SMILES: C1=CC=C(C=C1)/C(=N/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)N(C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2-nitro-1-phenyl-pyrrole
CAS Name: 2-nitro-1-phenylpyrrole
IUPAC NAME: 2-nitro-1-phenylpyrrole
SYSTEMATIC NAME: 2-nitro-1-phenyl-pyrrole
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1=CC=C(C=C1)N2C=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-[2-(2-nitropyrrol-1-yl)-N-(p-tolylsulfonyl)anilino]acetate
CAS Name: 2-[N-(4-methylphenyl)sulfonyl-2-(2-nitro-1-pyrrolyl)anilino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(2-nitropyrrol-1-yl)anilino]acetate
SYSTEMATIC NAME: ethyl 2-[(4-methylphenyl)sulfonyl-[2-(2-nitropyrrol-1-yl)phenyl]amino]ethanoate
MOLECULAR FORMULA: C21H21N3O6S
MOLECULAR WEIGHT: 443.47294
SMILES: CCOC(=O)CN(C1=CC=CC=C1N2C=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: 3-nitro-1-phenyl-pyrrole
CAS Name: 3-nitro-1-phenylpyrrole
IUPAC NAME: 3-nitro-1-phenylpyrrole
SYSTEMATIC NAME: 3-nitro-1-phenyl-pyrrole
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1=CC=C(C=C1)N2C=CC(=C2)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-[2-(3-nitropyrrol-1-yl)-N-(p-tolylsulfonyl)anilino]acetate
CAS Name: 2-[N-(4-methylphenyl)sulfonyl-2-(3-nitro-1-pyrrolyl)anilino]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[N-(4-methylphenyl)sulfonyl-2-(3-nitropyrrol-1-yl)anilino]acetate
SYSTEMATIC NAME: ethyl 2-[(4-methylphenyl)sulfonyl-[2-(3-nitropyrrol-1-yl)phenyl]amino]ethanoate
MOLECULAR FORMULA: C21H21N3O6S
MOLECULAR WEIGHT: 443.47294
SMILES: CCOC(=O)CN(C1=CC=CC=C1N2C=CC(=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C
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Product OPENEYE NAME: (6Z)-2,4-ditert-butyl-6-methoxyimino-cyclohexa-2,4-dien-1-one
CAS Name: (6Z)-2,4-ditert-butyl-6-methoxyimino-1-cyclohexa-2,4-dienone
IUPAC NAME: (6Z)-2,4-ditert-butyl-6-methoxyiminocyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-2,4-ditert-butyl-6-methoxyimino-cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C15H23NO2
MOLECULAR WEIGHT: 249.34862
SMILES: CC(C)(C)C1=C/C(=N/OC)/C(=O)C(=C1)C(C)(C)C
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