Tuesday, January 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-tert-butyl-4-(tetrazol-1-yl)benzamide
CAS Name: N-tert-butyl-4-(1-tetrazolyl)benzamide
IUPAC NAME: N-tert-butyl-4-(tetrazol-1-yl)benzamide
SYSTEMATIC NAME: N-tert-butyl-4-(1,2,3,4-tetrazol-1-yl)benzamide
MOLECULAR FORMULA: C12H15N5O
MOLECULAR WEIGHT: 245.2804
SMILES: CC(C)(C)NC(=O)C1=CC=C(C=C1)N2C=NN=N2
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Product OPENEYE NAME: 2-chloro-6-fluoro-N-isopentyl-benzamide
CAS Name: 2-chloro-6-fluoro-N-(3-methylbutyl)benzamide
IUPAC NAME: 2-chloro-6-fluoro-N-(3-methylbutyl)benzamide
SYSTEMATIC NAME: 2-chloranyl-6-fluoranyl-N-(3-methylbutyl)benzamide
MOLECULAR FORMULA: C12H15ClFNO
MOLECULAR WEIGHT: 243.705003
SMILES: CC(C)CCNC(=O)C1=C(C=CC=C1Cl)F
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Product OPENEYE NAME: 2,3-dimethoxy-N-(1-methylbutyl)benzamide
CAS Name: 2,3-dimethoxy-N-pentan-2-ylbenzamide
IUPAC NAME: 2,3-dimethoxy-N-pentan-2-ylbenzamide
SYSTEMATIC NAME: 2,3-dimethoxy-N-pentan-2-yl-benzamide
MOLECULAR FORMULA: C14H21NO3
MOLECULAR WEIGHT: 251.32144
SMILES: CCCC(C)NC(=O)C1=C(C(=CC=C1)OC)OC
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Product OPENEYE NAME: 3-[4-(6-methoxy-2-naphthyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]propanenitrile
CAS Name: 3-[4-(6-methoxy-2-naphthalenyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]propanenitrile
IUPAC NAME: 3-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]propanenitrile
MOLECULAR FORMULA: C18H17N3O3
MOLECULAR WEIGHT: 323.34588
SMILES: CC1(C(=O)N(C(=O)N1)CCC#N)C2=CC3=C(C=C2)C=C(C=C3)OC
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Product OPENEYE NAME: 3-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxo-imidazolidin-1-yl]propanenitrile
CAS Name: 3-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxo-1-imidazolidinyl]propanenitrile
IUPAC NAME: 3-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]propanenitrile
SYSTEMATIC NAME: 3-[4-(4-chlorophenyl)-4-ethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]propanenitrile
MOLECULAR FORMULA: C14H14ClN3O2
MOLECULAR WEIGHT: 291.73286
SMILES: CCC1(C(=O)N(C(=O)N1)CCC#N)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: (2-methoxy-2-oxo-ethyl) 2,4-dihydroxybenzoate
CAS Name: 2,4-dihydroxybenzoic acid (2-methoxy-2-oxoethyl) ester
IUPAC NAME: (2-methoxy-2-oxoethyl) 2,4-dihydroxybenzoate
SYSTEMATIC NAME: (2-methoxy-2-oxidanylidene-ethyl) 2,4-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C10H10O6
MOLECULAR WEIGHT: 226.1828
SMILES: COC(=O)COC(=O)C1=C(C=C(C=C1)O)O
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Product OPENEYE NAME: 1-[2-(2-fluorophenyl)-2-oxo-ethyl]-5-(trifluoromethyl)pyridin-2-one
CAS Name: 1-[2-(2-fluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)-2-pyridinone
IUPAC NAME: 1-[2-(2-fluorophenyl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SYSTEMATIC NAME: 1-[2-(2-fluorophenyl)-2-oxidanylidene-ethyl]-5-(trifluoromethyl)pyridin-2-one
MOLECULAR FORMULA: C14H9F4NO2
MOLECULAR WEIGHT: 299.220373
SMILES: C1=CC=C(C(=C1)C(=O)CN2C=C(C=CC2=O)C(F)(F)F)F
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Product OPENEYE NAME: 2-(tetrahydropyran-2-ylmethylsulfanyl)pyridine
CAS Name: 2-(2-oxanylmethylthio)pyridine
IUPAC NAME: 2-(oxan-2-ylmethylsulfanyl)pyridine
SYSTEMATIC NAME: 2-(oxan-2-ylmethylsulfanyl)pyridine
MOLECULAR FORMULA: C11H15NOS
MOLECULAR WEIGHT: 209.3079
SMILES: C1CCOC(C1)CSC2=CC=CC=N2
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Product OPENEYE NAME: 2-benzylsulfanyl-N-(2-furylmethyl)propanamide
CAS Name: N-(2-furanylmethyl)-2-(phenylmethylthio)propanamide
IUPAC NAME: 2-benzylsulfanyl-N-(furan-2-ylmethyl)propanamide
SYSTEMATIC NAME: N-(furan-2-ylmethyl)-2-(phenylmethylsulfanyl)propanamide
MOLECULAR FORMULA: C15H17NO2S
MOLECULAR WEIGHT: 275.36598
SMILES: CC(C(=O)NCC1=CC=CO1)SCC2=CC=CC=C2
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Product OPENEYE NAME: [2-(difluoromethoxy)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CAS Name: [2-(difluoromethoxy)phenyl]-(2,6-dimethyl-4-morpholinyl)methanone
IUPAC NAME: [2-(difluoromethoxy)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SYSTEMATIC NAME: [2-[bis(fluoranyl)methoxy]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
MOLECULAR FORMULA: C14H17F2NO3
MOLECULAR WEIGHT: 285.286486
SMILES: CC1CN(CC(O1)C)C(=O)C2=CC=CC=C2OC(F)F
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Product OPENEYE NAME: [2-(difluoromethoxy)phenyl]-morpholino-methanone
CAS Name: [2-(difluoromethoxy)phenyl]-(4-morpholinyl)methanone
IUPAC NAME: [2-(difluoromethoxy)phenyl]-morpholin-4-ylmethanone
SYSTEMATIC NAME: [2-[bis(fluoranyl)methoxy]phenyl]-morpholin-4-yl-methanone
MOLECULAR FORMULA: C12H13F2NO3
MOLECULAR WEIGHT: 257.233326
SMILES: C1COCCN1C(=O)C2=CC=CC=C2OC(F)F
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Product OPENEYE NAME: N-tert-butyl-3-(2-chlorophenyl)propanamide
CAS Name: N-tert-butyl-3-(2-chlorophenyl)propanamide
IUPAC NAME: N-tert-butyl-3-(2-chlorophenyl)propanamide
SYSTEMATIC NAME: N-tert-butyl-3-(2-chlorophenyl)propanamide
MOLECULAR FORMULA: C13H18ClNO
MOLECULAR WEIGHT: 239.74112
SMILES: CC(C)(C)NC(=O)CCC1=CC=CC=C1Cl
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Product OPENEYE NAME: 2-(3-fluorophenyl)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)acetamide
CAS Name: 2-(3-fluorophenyl)-N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)acetamide
IUPAC NAME: 2-(3-fluorophenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SYSTEMATIC NAME: 2-(3-fluorophenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)ethanamide
MOLECULAR FORMULA: C15H16FN3OS
MOLECULAR WEIGHT: 305.370443
SMILES: CN1CCC2=C(C1)SC(=N2)NC(=O)CC3=CC(=CC=C3)F
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Product OPENEYE NAME: 8-methyl-2-[[5-(o-tolyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CAS Name: 8-methyl-2-[[5-(2-methylphenyl)-2-tetrazolyl]methyl]-4-pyrido[1,2-a]pyrimidinone
IUPAC NAME: 8-methyl-2-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 8-methyl-2-[[5-(2-methylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C18H16N6O
MOLECULAR WEIGHT: 332.35924
SMILES: CC1=CC2=NC(=CC(=O)N2C=C1)CN3N=C(N=N3)C4=CC=CC=C4C
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