Thursday, June 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 4-(bromomethyl)-5-isopropyl-1-phenyl-pyrazole
CAS Name: 4-(bromomethyl)-1-phenyl-5-propan-2-ylpyrazole
IUPAC NAME: 4-(bromomethyl)-1-phenyl-5-propan-2-ylpyrazole
SYSTEMATIC NAME: 4-(bromomethyl)-1-phenyl-5-propan-2-yl-pyrazole
MOLECULAR FORMULA: C13H15BrN2
MOLECULAR WEIGHT: 279.1756
SMILES: CC(C)C1=C(C=NN1C2=CC=CC=C2)CBr
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Product OPENEYE NAME: 4-(bromomethyl)-5-tert-butyl-1-phenyl-pyrazole
CAS Name: 4-(bromomethyl)-5-tert-butyl-1-phenylpyrazole
IUPAC NAME: 4-(bromomethyl)-5-tert-butyl-1-phenylpyrazole
SYSTEMATIC NAME: 4-(bromomethyl)-5-tert-butyl-1-phenyl-pyrazole
MOLECULAR FORMULA: C14H17BrN2
MOLECULAR WEIGHT: 293.20218
SMILES: CC(C)(C)C1=C(C=NN1C2=CC=CC=C2)CBr
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Product OPENEYE NAME: 5-benzyl-4-(bromomethyl)-1-phenyl-pyrazole
CAS Name: 4-(bromomethyl)-1-phenyl-5-(phenylmethyl)pyrazole
IUPAC NAME: 5-benzyl-4-(bromomethyl)-1-phenylpyrazole
SYSTEMATIC NAME: 4-(bromomethyl)-1-phenyl-5-(phenylmethyl)pyrazole
MOLECULAR FORMULA: C17H15BrN2
MOLECULAR WEIGHT: 327.2184
SMILES: C1=CC=C(C=C1)CC2=C(C=NN2C3=CC=CC=C3)CBr
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Product OPENEYE NAME: 4-(bromomethyl)-1,5-diphenyl-pyrazole
CAS Name: 4-(bromomethyl)-1,5-diphenylpyrazole
IUPAC NAME: 4-(bromomethyl)-1,5-diphenylpyrazole
SYSTEMATIC NAME: 4-(bromomethyl)-1,5-diphenyl-pyrazole
MOLECULAR FORMULA: C16H13BrN2
MOLECULAR WEIGHT: 313.19182
SMILES: C1=CC=C(C=C1)C2=C(C=NN2C3=CC=CC=C3)CBr
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Product OPENEYE NAME: 4-(bromomethyl)-1-(4-fluorophenyl)-5-phenyl-pyrazole
CAS Name: 4-(bromomethyl)-1-(4-fluorophenyl)-5-phenylpyrazole
IUPAC NAME: 4-(bromomethyl)-1-(4-fluorophenyl)-5-phenylpyrazole
SYSTEMATIC NAME: 4-(bromomethyl)-1-(4-fluorophenyl)-5-phenyl-pyrazole
MOLECULAR FORMULA: C16H12BrFN2
MOLECULAR WEIGHT: 331.182283
SMILES: C1=CC=C(C=C1)C2=C(C=NN2C3=CC=C(C=C3)F)CBr
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Product OPENEYE NAME: 2-[1-(2,6-dioxocyclohexyl)butyl]cyclohexane-1,3-dione
CAS Name: 2-[1-(2,6-dioxocyclohexyl)butyl]cyclohexane-1,3-dione
IUPAC NAME: 2-[1-(2,6-dioxocyclohexyl)butyl]cyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[1-[2,6-bis(oxidanylidene)cyclohexyl]butyl]cyclohexane-1,3-dione
MOLECULAR FORMULA: C16H22O4
MOLECULAR WEIGHT: 278.34348
SMILES: CCCC(C1C(=O)CCCC1=O)C2C(=O)CCCC2=O
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Product OPENEYE NAME: 2-[(2-chlorophenyl)-(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione
CAS Name: 2-[(2-chlorophenyl)-(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione
IUPAC NAME: 2-[(2-chlorophenyl)-(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[[2,6-bis(oxidanylidene)cyclohexyl]-(2-chlorophenyl)methyl]cyclohexane-1,3-dione
MOLECULAR FORMULA: C19H19ClO4
MOLECULAR WEIGHT: 346.80476
SMILES: C1CC(=O)C(C(=O)C1)C(C2C(=O)CCCC2=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: 2-[1-(2,6-dioxocyclohexyl)-2-phenyl-ethyl]cyclohexane-1,3-dione
CAS Name: 2-[1-(2,6-dioxocyclohexyl)-2-phenylethyl]cyclohexane-1,3-dione
IUPAC NAME: 2-[1-(2,6-dioxocyclohexyl)-2-phenylethyl]cyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[1-[2,6-bis(oxidanylidene)cyclohexyl]-2-phenyl-ethyl]cyclohexane-1,3-dione
MOLECULAR FORMULA: C20H22O4
MOLECULAR WEIGHT: 326.38628
SMILES: C1CC(=O)C(C(=O)C1)C(CC2=CC=CC=C2)C3C(=O)CCCC3=O
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Product OPENEYE NAME: 10-(o-tolyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CAS Name: 10-(2-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
IUPAC NAME: 10-(2-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SYSTEMATIC NAME: 10-(2-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
MOLECULAR FORMULA: C20H21NO2
MOLECULAR WEIGHT: 307.38624
SMILES: CC1=CC=CC=C1N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3
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Product OPENEYE NAME: 10-(2-chloro-6-methyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CAS Name: 10-(2-chloro-6-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
IUPAC NAME: 10-(2-chloro-6-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SYSTEMATIC NAME: 10-(2-chloranyl-6-methyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
MOLECULAR FORMULA: C20H20ClNO2
MOLECULAR WEIGHT: 341.8313
SMILES: CC1=C(C(=CC=C1)Cl)N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3
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Product OPENEYE NAME: 10-(2-bromo-4,6-dimethyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CAS Name: 10-(2-bromo-4,6-dimethylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
IUPAC NAME: 10-(2-bromo-4,6-dimethylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SYSTEMATIC NAME: 10-(2-bromanyl-4,6-dimethyl-phenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
MOLECULAR FORMULA: C21H22BrNO2
MOLECULAR WEIGHT: 400.30888
SMILES: CC1=CC(=C(C(=C1)Br)N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)C
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Product OPENEYE NAME: 10-[4-(4-phenylphenyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CAS Name: 10-[4-(4-phenylphenyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
IUPAC NAME: 10-[4-(4-phenylphenyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SYSTEMATIC NAME: 10-[4-(4-phenylphenyl)phenyl]-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
MOLECULAR FORMULA: C31H27NO2
MOLECULAR WEIGHT: 445.55158
SMILES: C1CC2=C(CC3=C(N2C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=CC=C6)CCCC3=O)C(=O)C1
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Product OPENEYE NAME: 9-methyl-10-(p-tolyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CAS Name: 9-methyl-10-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
IUPAC NAME: 9-methyl-10-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SYSTEMATIC NAME: 9-methyl-10-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
MOLECULAR FORMULA: C21H23NO2
MOLECULAR WEIGHT: 321.41282
SMILES: CC1C2=C(CCCC2=O)N(C3=C1C(=O)CCC3)C4=CC=C(C=C4)C
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Product OPENEYE NAME: 9-methyl-10-(o-tolyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CAS Name: 9-methyl-10-(2-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
IUPAC NAME: 9-methyl-10-(2-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SYSTEMATIC NAME: 9-methyl-10-(2-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
MOLECULAR FORMULA: C21H23NO2
MOLECULAR WEIGHT: 321.41282
SMILES: CC1C2=C(CCCC2=O)N(C3=C1C(=O)CCC3)C4=CC=CC=C4C
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Product OPENEYE NAME: 9-propyl-10-(p-tolyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CAS Name: 10-(4-methylphenyl)-9-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
IUPAC NAME: 10-(4-methylphenyl)-9-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SYSTEMATIC NAME: 10-(4-methylphenyl)-9-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
MOLECULAR FORMULA: C23H27NO2
MOLECULAR WEIGHT: 349.46598
SMILES: CCCC1C2=C(CCCC2=O)N(C3=C1C(=O)CCC3)C4=CC=C(C=C4)C
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Product OPENEYE NAME: 10-(4-chlorophenyl)-9-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CAS Name: 10-(4-chlorophenyl)-9-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
IUPAC NAME: 10-(4-chlorophenyl)-9-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SYSTEMATIC NAME: 10-(4-chlorophenyl)-9-propyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
MOLECULAR FORMULA: C22H24ClNO2
MOLECULAR WEIGHT: 369.88446
SMILES: CCCC1C2=C(CCCC2=O)N(C3=C1C(=O)CCC3)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 9-phenyl-10-(p-tolyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CAS Name: 10-(4-methylphenyl)-9-phenyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
IUPAC NAME: 10-(4-methylphenyl)-9-phenyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SYSTEMATIC NAME: 10-(4-methylphenyl)-9-phenyl-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
MOLECULAR FORMULA: C26H25NO2
MOLECULAR WEIGHT: 383.4822
SMILES: CC1=CC=C(C=C1)N2C3=C(C(C4=C2CCCC4=O)C5=CC=CC=C5)C(=O)CCC3
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Product OPENEYE NAME: 9-benzyl-10-(p-tolyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
CAS Name: 10-(4-methylphenyl)-9-(phenylmethyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
IUPAC NAME: 9-benzyl-10-(4-methylphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
SYSTEMATIC NAME: 10-(4-methylphenyl)-9-(phenylmethyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
MOLECULAR FORMULA: C27H27NO2
MOLECULAR WEIGHT: 397.50878
SMILES: CC1=CC=C(C=C1)N2C3=C(C(C4=C2CCCC4=O)CC5=CC=CC=C5)C(=O)CCC3
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Product OPENEYE NAME: 3,3,6,6-tetramethyl-10-(o-tolyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CAS Name: 3,3,6,6-tetramethyl-10-(2-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
IUPAC NAME: 3,3,6,6-tetramethyl-10-(2-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SYSTEMATIC NAME: 3,3,6,6-tetramethyl-10-(2-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
MOLECULAR FORMULA: C24H29NO2
MOLECULAR WEIGHT: 363.49256
SMILES: CC1=CC=CC=C1N2C3=C(CC4=C2CC(CC4=O)(C)C)C(=O)CC(C3)(C)C
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Product OPENEYE NAME: 5,6,7-trimethyl-2-morpholino-1,5-dihydro-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
CAS Name: 5,6,7-trimethyl-2-(4-morpholinyl)-1,5-dihydro-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
IUPAC NAME: 5,6,7-trimethyl-2-morpholin-4-yl-1,5-dihydro-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
SYSTEMATIC NAME: 5,6,7-trimethyl-2-morpholin-4-yl-1,5-dihydro-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
MOLECULAR FORMULA: C11H19N7OS
MOLECULAR WEIGHT: 297.37986
SMILES: CC1N=C2N=C(NN2C(=S)N(N1C)C)N3CCOCC3
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Product OPENEYE NAME: 7-methyl-2-methylsulfanyl-5-phenyl-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
CAS Name: 7-methyl-2-(methylthio)-5-phenyl-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
IUPAC NAME: 7-methyl-2-methylsulfanyl-5-phenyl-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
SYSTEMATIC NAME: 7-methyl-2-methylsulfanyl-5-phenyl-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
MOLECULAR FORMULA: C12H14N6S2
MOLECULAR WEIGHT: 306.40976
SMILES: CN1C(=S)N2C(=NC(N1)C3=CC=CC=C3)N=C(N2)SC
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Product OPENEYE NAME: 4-(7-methyl-2-methylsulfanyl-8-thioxo-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepin-5-yl)benzonitrile
CAS Name: 4-[7-methyl-2-(methylthio)-8-sulfanylidene-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepin-5-yl]benzonitrile
IUPAC NAME: 4-(7-methyl-2-methylsulfanyl-8-sulfanylidene-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepin-5-yl)benzonitrile
SYSTEMATIC NAME: 4-(7-methyl-2-methylsulfanyl-8-sulfanylidene-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepin-5-yl)benzenecarbonitrile
MOLECULAR FORMULA: C13H13N7S2
MOLECULAR WEIGHT: 331.41922
SMILES: CN1C(=S)N2C(=NC(N1)C3=CC=C(C=C3)C#N)N=C(N2)SC
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Product OPENEYE NAME: 7-methyl-2-morpholino-5-(3-nitrophenyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
CAS Name: 7-methyl-2-(4-morpholinyl)-5-(3-nitrophenyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
IUPAC NAME: 7-methyl-2-morpholin-4-yl-5-(3-nitrophenyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
SYSTEMATIC NAME: 7-methyl-2-morpholin-4-yl-5-(3-nitrophenyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
MOLECULAR FORMULA: C15H18N8O3S
MOLECULAR WEIGHT: 390.42022
SMILES: CN1C(=S)N2C(=NC(N1)C3=CC(=CC=C3)[N+](=O)[O-])N=C(N2)N4CCOCC4
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Product OPENEYE NAME: 7-methyl-2-morpholino-5-(4-nitrophenyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
CAS Name: 7-methyl-2-(4-morpholinyl)-5-(4-nitrophenyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
IUPAC NAME: 7-methyl-2-morpholin-4-yl-5-(4-nitrophenyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
SYSTEMATIC NAME: 7-methyl-2-morpholin-4-yl-5-(4-nitrophenyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-d][1,2,4,6]tetrazepine-8-thione
MOLECULAR FORMULA: C15H18N8O3S
MOLECULAR WEIGHT: 390.42022
SMILES: CN1C(=S)N2C(=NC(N1)C3=CC=C(C=C3)[N+](=O)[O-])N=C(N2)N4CCOCC4
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