Sunday, October 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine
CAS Name: 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine
IUPAC NAME: 5-(4-fluorophenyl)-3,7-diphenyl-4H-diazepine
SYSTEMATIC NAME: 5-(4-fluorophenyl)-3,7-diphenyl-4H-1,2-diazepine
MOLECULAR FORMULA: C23H17FN2
MOLECULAR WEIGHT: 340.392883
SMILES: C1C(=CC(=NN=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)F
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Product OPENEYE NAME: 3-(1-phenyltetrazol-5-yl)quinolin-4-amine
CAS Name: 3-(1-phenyl-5-tetrazolyl)-4-quinolinamine
IUPAC NAME: 3-(1-phenyltetrazol-5-yl)quinolin-4-amine
SYSTEMATIC NAME: 3-(1-phenyl-1,2,3,4-tetrazol-5-yl)quinolin-4-amine
MOLECULAR FORMULA: C16H12N6
MOLECULAR WEIGHT: 288.30668
SMILES: C1=CC=C(C=C1)N2C(=NN=N2)C3=C(C4=CC=CC=C4N=C3)N
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Product OPENEYE NAME: 7-chloro-3-[1-(4-fluorophenyl)tetrazol-5-yl]quinolin-4-amine
CAS Name: 7-chloro-3-[1-(4-fluorophenyl)-5-tetrazolyl]-4-quinolinamine
IUPAC NAME: 7-chloro-3-[1-(4-fluorophenyl)tetrazol-5-yl]quinolin-4-amine
SYSTEMATIC NAME: 7-chloranyl-3-[1-(4-fluorophenyl)-1,2,3,4-tetrazol-5-yl]quinolin-4-amine
MOLECULAR FORMULA: C16H10ClFN6
MOLECULAR WEIGHT: 340.742203
SMILES: C1=CC(=CC=C1N2C(=NN=N2)C3=CN=C4C=C(C=CC4=C3N)Cl)F
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Product OPENEYE NAME: N-[4-(3-chloro-4-methyl-phenyl)-5-methyl-thiazol-2-yl]-4-methoxy-benzamide
CAS Name: N-[4-(3-chloro-4-methylphenyl)-5-methyl-2-thiazolyl]-4-methoxybenzamide
IUPAC NAME: N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-methoxybenzamide
SYSTEMATIC NAME: N-[4-(3-chloranyl-4-methyl-phenyl)-5-methyl-1,3-thiazol-2-yl]-4-methoxy-benzamide
MOLECULAR FORMULA: C19H17ClN2O2S
MOLECULAR WEIGHT: 372.86848
SMILES: CC1=C(C=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)OC)C)Cl
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Product OPENEYE NAME: N-[4-(3-chloro-4-methyl-phenyl)-5-methyl-thiazol-2-yl]-2,6-difluoro-benzamide
CAS Name: N-[4-(3-chloro-4-methylphenyl)-5-methyl-2-thiazolyl]-2,6-difluorobenzamide
IUPAC NAME: N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-difluorobenzamide
SYSTEMATIC NAME: N-[4-(3-chloranyl-4-methyl-phenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-bis(fluoranyl)benzamide
MOLECULAR FORMULA: C18H13ClF2N2OS
MOLECULAR WEIGHT: 378.823426
SMILES: CC1=C(C=C(C=C1)C2=C(SC(=N2)NC(=O)C3=C(C=CC=C3F)F)C)Cl
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Product OPENEYE NAME: N-[4-(3-chloro-4-methyl-phenyl)-5-methyl-thiazol-2-yl]-4-propyl-benzamide
CAS Name: N-[4-(3-chloro-4-methylphenyl)-5-methyl-2-thiazolyl]-4-propylbenzamide
IUPAC NAME: N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-propylbenzamide
SYSTEMATIC NAME: N-[4-(3-chloranyl-4-methyl-phenyl)-5-methyl-1,3-thiazol-2-yl]-4-propyl-benzamide
MOLECULAR FORMULA: C21H21ClN2OS
MOLECULAR WEIGHT: 384.92224
SMILES: CCCC1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)C)C3=CC(=C(C=C3)C)Cl
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Product OPENEYE NAME: N-[4-(3-chloro-4-methyl-phenyl)-5-methyl-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CAS Name: N-[4-(3-chloro-4-methylphenyl)-5-methyl-2-thiazolyl]-4-(trifluoromethyl)benzamide
IUPAC NAME: N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[4-(3-chloranyl-4-methyl-phenyl)-5-methyl-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C19H14ClF3N2OS
MOLECULAR WEIGHT: 410.84047
SMILES: CC1=C(C=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)C)Cl
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Product OPENEYE NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone
CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-4-nitro-1-imidazolyl)ethanone
IUPAC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-4-nitroimidazol-1-yl)ethanone
SYSTEMATIC NAME: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone
MOLECULAR FORMULA: C14H13N3O5
MOLECULAR WEIGHT: 303.27012
SMILES: CC1=NC(=CN1CC(=O)C2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]
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Product OPENEYE NAME: 4-[4-[2-[4-(2-fluorophenyl)phenyl]-1-methyl-2-oxo-ethyl]piperazin-1-yl]benzonitrile
CAS Name: 4-[4-[1-[4-(2-fluorophenyl)phenyl]-1-oxopropan-2-yl]-1-piperazinyl]benzonitrile
IUPAC NAME: 4-[4-[1-[4-(2-fluorophenyl)phenyl]-1-oxopropan-2-yl]piperazin-1-yl]benzonitrile
SYSTEMATIC NAME: 4-[4-[1-[4-(2-fluorophenyl)phenyl]-1-oxidanylidene-propan-2-yl]piperazin-1-yl]benzenecarbonitrile
MOLECULAR FORMULA: C26H24FN3O
MOLECULAR WEIGHT: 413.486663
SMILES: CC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2F)N3CCN(CC3)C4=CC=C(C=C4)C#N
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Product OPENEYE NAME: 4-[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]benzonitrile
CAS Name: 4-[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)-1-piperazinyl]benzonitrile
IUPAC NAME: 4-[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]benzonitrile
SYSTEMATIC NAME: 4-[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]benzenecarbonitrile
MOLECULAR FORMULA: C17H15N5O3S
MOLECULAR WEIGHT: 369.3977
SMILES: C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC4=NON=C43
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Product OPENEYE NAME: 4-[4-[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]benzonitrile
CAS Name: 4-[4-[[5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-oxomethyl]-1-piperazinyl]benzonitrile
IUPAC NAME: 4-[4-[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]piperazin-1-yl]benzonitrile
SYSTEMATIC NAME: 4-[4-[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]carbonylpiperazin-1-yl]benzenecarbonitrile
MOLECULAR FORMULA: C23H17ClF3N3O2
MOLECULAR WEIGHT: 459.84819
SMILES: C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)C3=C(OC(=C3)C4=CC=C(C=C4)Cl)C(F)(F)F
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone
CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitro-1-imidazolyl)ethanone
IUPAC NAME: 1-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitroimidazol-1-yl)ethanone
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-nitro-imidazol-1-yl)ethanone
MOLECULAR FORMULA: C13H11N3O5
MOLECULAR WEIGHT: 289.24354
SMILES: CC1=NC(=CN1CC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]
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Product OPENEYE NAME: [5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furyl]-[4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]methanone
CAS Name: [5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furanyl]-[4-[4-nitro-2-(1-pyrrolyl)phenyl]-1-piperazinyl]methanone
IUPAC NAME: [5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-[4-(4-nitro-2-pyrrol-1-ylphenyl)piperazin-1-yl]methanone
SYSTEMATIC NAME: [5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]-[4-(4-nitro-2-pyrrol-1-yl-phenyl)piperazin-1-yl]methanone
MOLECULAR FORMULA: C26H20ClF3N4O4
MOLECULAR WEIGHT: 544.90961
SMILES: C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N3C=CC=C3)C(=O)C4=C(OC(=C4)C5=CC=C(C=C5)Cl)C(F)(F)F
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Product OPENEYE NAME: N-[4-(3-chloro-4-methyl-phenyl)-5-methyl-thiazol-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carboxamide
CAS Name: N-[4-(3-chloro-4-methylphenyl)-5-methyl-2-thiazolyl]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
IUPAC NAME: N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: 3-[2,6-bis(chloranyl)phenyl]-N-[4-(3-chloranyl-4-methyl-phenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C22H16Cl3N3O2S
MOLECULAR WEIGHT: 492.80534
SMILES: CC1=C(C=C(C=C1)C2=C(SC(=N2)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C)C)Cl
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