Sunday, December 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[2-(4-fluorophenyl)ethyl]-4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carboxamide
CAS Name: N-[2-(4-fluorophenyl)ethyl]-4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazinecarboxamide
IUPAC NAME: N-[2-(4-fluorophenyl)ethyl]-4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carboxamide
SYSTEMATIC NAME: N-[2-(4-fluorophenyl)ethyl]-4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C24H25F4N5O2
MOLECULAR WEIGHT: 491.481213
SMILES: CC(C1=NC(=NO1)C2=CC(=CC=C2)C(F)(F)F)N3CCN(CC3)C(=O)NCCC4=CC=C(C=C4)F
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Product OPENEYE NAME: 5-[5-(3,4-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid
CAS Name: 5-[5-(3,4-dimethoxyphenyl)-3-(6-quinoxalinyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
IUPAC NAME: 5-[5-(3,4-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[5-(3,4-dimethoxyphenyl)-3-quinoxalin-6-yl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C24H24N4O5
MOLECULAR WEIGHT: 448.47116
SMILES: COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC4=NC=CN=C4C=C3)C(=O)CCCC(=O)O)OC
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Product OPENEYE NAME: 6-[2-(p-tolylsulfonyl)-5-(2-thienyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CAS Name: 6-[2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
IUPAC NAME: 6-[2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
SYSTEMATIC NAME: 6-[2-(4-methylphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
MOLECULAR FORMULA: C22H18N4O2S2
MOLECULAR WEIGHT: 434.53392
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC5=NC=CN=C5C=C4
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Product OPENEYE NAME: 6-[2-(4-methoxyphenyl)sulfonyl-5-(2-thienyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CAS Name: 6-[2-(4-methoxyphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
IUPAC NAME: 6-[2-(4-methoxyphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
SYSTEMATIC NAME: 6-[2-(4-methoxyphenyl)sulfonyl-5-thiophen-2-yl-3,4-dihydropyrazol-3-yl]quinoxaline
MOLECULAR FORMULA: C22H18N4O3S2
MOLECULAR WEIGHT: 450.53332
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC5=NC=CN=C5C=C4
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Product OPENEYE NAME: [3-quinoxalin-6-yl-5-(3-thienyl)-3,4-dihydropyrazol-2-yl]-(2-thienyl)methanone
CAS Name: [3-(6-quinoxalinyl)-5-(3-thiophenyl)-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone
IUPAC NAME: (3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-ylmethanone
SYSTEMATIC NAME: (3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)-thiophen-2-yl-methanone
MOLECULAR FORMULA: C20H14N4OS2
MOLECULAR WEIGHT: 390.48136
SMILES: C1C(N(N=C1C2=CSC=C2)C(=O)C3=CC=CS3)C4=CC5=NC=CN=C5C=C4
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Product OPENEYE NAME: (2-fluorophenyl)-[3-quinoxalin-6-yl-5-(3-thienyl)-3,4-dihydropyrazol-2-yl]methanone
CAS Name: (2-fluorophenyl)-[3-(6-quinoxalinyl)-5-(3-thiophenyl)-3,4-dihydropyrazol-2-yl]methanone
IUPAC NAME: (2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone
SYSTEMATIC NAME: (2-fluorophenyl)-(3-quinoxalin-6-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl)methanone
MOLECULAR FORMULA: C22H15FN4OS
MOLECULAR WEIGHT: 402.444103
SMILES: C1C(N(N=C1C2=CSC=C2)C(=O)C3=CC=CC=C3F)C4=CC5=NC=CN=C5C=C4
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Product OPENEYE NAME: 6-bromo-4-(2-chlorophenyl)-N-[(E)-(5-nitro-2-furyl)methyleneamino]quinazolin-2-amine
CAS Name: 6-bromo-4-(2-chlorophenyl)-N-[(E)-(5-nitro-2-furanyl)methylideneamino]-2-quinazolinamine
IUPAC NAME: 6-bromo-4-(2-chlorophenyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinazolin-2-amine
SYSTEMATIC NAME: 6-bromanyl-4-(2-chlorophenyl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]quinazolin-2-amine
MOLECULAR FORMULA: C19H11BrClN5O3
MOLECULAR WEIGHT: 472.67934
SMILES: C1=CC=C(C(=C1)C2=NC(=NC3=C2C=C(C=C3)Br)N/N=C/C4=CC=C(O4)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 6-[2-(4-methoxyphenyl)sulfonyl-5-(3-thienyl)-3,4-dihydropyrazol-3-yl]quinoxaline
CAS Name: 6-[2-(4-methoxyphenyl)sulfonyl-5-(3-thiophenyl)-3,4-dihydropyrazol-3-yl]quinoxaline
IUPAC NAME: 6-[2-(4-methoxyphenyl)sulfonyl-5-thiophen-3-yl-3,4-dihydropyrazol-3-yl]quinoxaline
SYSTEMATIC NAME: 6-[2-(4-methoxyphenyl)sulfonyl-5-thiophen-3-yl-3,4-dihydropyrazol-3-yl]quinoxaline
MOLECULAR FORMULA: C22H18N4O3S2
MOLECULAR WEIGHT: 450.53332
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CSC=C3)C4=CC5=NC=CN=C5C=C4
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Product OPENEYE NAME: N-methyl-3-(2-pyridylmethylsulfanyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CAS Name: N-methyl-3-(2-pyridinylmethylthio)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
IUPAC NAME: N-methyl-3-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
SYSTEMATIC NAME: N-methyl-3-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
MOLECULAR FORMULA: C20H23N5OS
MOLECULAR WEIGHT: 381.49452
SMILES: CC(C1=CC=C(C=C1)N2C=NC=N2)N(C)C(=O)CCSCC3=CC=CC=N3
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Product OPENEYE NAME: N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide
CAS Name: N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluoro-4-(4-methyl-1-piperazinyl)benzamide
IUPAC NAME: N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide
SYSTEMATIC NAME: N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluoranyl-4-(4-methylpiperazin-1-yl)benzamide
MOLECULAR FORMULA: C23H31FN4O3S
MOLECULAR WEIGHT: 462.580643
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)F
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Product OPENEYE NAME: (2,3-dimethyl-1H-indol-5-yl)-[4-[[isopropyl(methyl)amino]methyl]-1-piperidyl]methanone
CAS Name: (2,3-dimethyl-1H-indol-5-yl)-[4-[[methyl(propan-2-yl)amino]methyl]-1-piperidinyl]methanone
IUPAC NAME: (2,3-dimethyl-1H-indol-5-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
SYSTEMATIC NAME: (2,3-dimethyl-1H-indol-5-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
MOLECULAR FORMULA: C21H31N3O
MOLECULAR WEIGHT: 341.49034
SMILES: CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCC(CC3)CN(C)C(C)C)C
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Product OPENEYE NAME: 5,5-dimethyl-3-[2-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]ethyl]imidazolidine-2,4-dione
CAS Name: 5,5-dimethyl-3-[2-[methyl-[(2-phenyl-4-triazolyl)methyl]amino]ethyl]imidazolidine-2,4-dione
IUPAC NAME: 5,5-dimethyl-3-[2-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]ethyl]imidazolidine-2,4-dione
SYSTEMATIC NAME: 5,5-dimethyl-3-[2-[methyl-[(2-phenyl-1,2,3-triazol-4-yl)methyl]amino]ethyl]imidazolidine-2,4-dione
MOLECULAR FORMULA: C17H22N6O2
MOLECULAR WEIGHT: 342.39558
SMILES: CC1(C(=O)N(C(=O)N1)CCN(C)CC2=NN(N=C2)C3=CC=CC=C3)C
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