Tuesday, August 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidine
CAS Name: 2-[2-(diphenylmethyl)-2-methyl-1,3-dioxolan-4-yl]piperidine
IUPAC NAME: 2-(2-benzhydryl-2-methyl-1,3-dioxolan-4-yl)piperidine
SYSTEMATIC NAME: 2-[2-(diphenylmethyl)-2-methyl-1,3-dioxolan-4-yl]piperidine
MOLECULAR FORMULA: C22H27NO2
MOLECULAR WEIGHT: 337.45528
SMILES: CC1(OCC(O1)C2CCCCN2)C(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(2-benzyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
CAS Name: 2-[2-phenyl-2-(phenylmethyl)-1,3-dioxolan-4-yl]piperidin-1-ium chloride
IUPAC NAME: 2-(2-benzyl-2-phenyl-1,3-dioxolan-4-yl)piperidin-1-ium chloride
SYSTEMATIC NAME: 2-[2-phenyl-2-(phenylmethyl)-1,3-dioxolan-4-yl]piperidin-1-ium chloride
MOLECULAR FORMULA: C21H26ClNO2
MOLECULAR WEIGHT: 359.88964
SMILES: C1CC[NH2+]C(C1)C2COC(O2)(CC3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: 2-(2-benzyl-2-phenyl-1,3-dioxolan-4-yl)piperidine
CAS Name: 2-[2-phenyl-2-(phenylmethyl)-1,3-dioxolan-4-yl]piperidine
IUPAC NAME: 2-(2-benzyl-2-phenyl-1,3-dioxolan-4-yl)piperidine
SYSTEMATIC NAME: 2-[2-phenyl-2-(phenylmethyl)-1,3-dioxolan-4-yl]piperidine
MOLECULAR FORMULA: C21H25NO2
MOLECULAR WEIGHT: 323.4287
SMILES: C1CCNC(C1)C2COC(O2)(CC3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-ium-4-yl]-N,N-diethyl-ethanamine chloride
CAS Name: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)-4-piperidin-1-iumyl]-N,N-diethylethanamine chloride
IUPAC NAME: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-ium-4-yl]-N,N-diethylethanamine chloride
SYSTEMATIC NAME: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-ium-4-yl]-N,N-diethyl-ethanamine chloride
MOLECULAR FORMULA: C26H37ClN2O2
MOLECULAR WEIGHT: 445.03718
SMILES: CCN(CC)CCC1CC[NH2+]C(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
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Product OPENEYE NAME: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)-4-piperidyl]-N,N-diethyl-ethanamine
CAS Name: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)-4-piperidinyl]-N,N-diethylethanamine
IUPAC NAME: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-yl]-N,N-diethylethanamine
SYSTEMATIC NAME: 2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-yl]-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C26H36N2O2
MOLECULAR WEIGHT: 408.57624
SMILES: CCN(CC)CCC1CCNC(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: N-isopropyladamantan-1-amine hydrochloride
CAS Name: N-propan-2-yl-1-adamantanamine hydrochloride
IUPAC NAME: N-propan-2-yladamantan-1-amine hydrochloride
SYSTEMATIC NAME: N-propan-2-yladamantan-1-amine hydrochloride
MOLECULAR FORMULA: C13H24ClN
MOLECULAR WEIGHT: 229.78936
SMILES: CC(C)NC12CC3CC(C1)CC(C3)C2.Cl
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Product OPENEYE NAME: N-isopropyladamantan-1-amine
CAS Name: N-propan-2-yl-1-adamantanamine
IUPAC NAME: N-propan-2-yladamantan-1-amine
SYSTEMATIC NAME: N-propan-2-yladamantan-1-amine
MOLECULAR FORMULA: C13H23N
MOLECULAR WEIGHT: 193.32842
SMILES: CC(C)NC12CC3CC(C1)CC(C3)C2
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Product OPENEYE NAME: diethyl-[2-[2-(4-methoxyphenyl)-2-phenyl-acetyl]oxyethyl]ammonium chloride
CAS Name: diethyl-[2-[2-(4-methoxyphenyl)-1-oxo-2-phenylethoxy]ethyl]ammonium chloride
IUPAC NAME: diethyl-[2-[2-(4-methoxyphenyl)-2-phenylacetyl]oxyethyl]azanium chloride
SYSTEMATIC NAME: diethyl-[2-[2-(4-methoxyphenyl)-2-phenyl-ethanoyl]oxyethyl]azanium chloride
MOLECULAR FORMULA: C21H28ClNO3
MOLECULAR WEIGHT: 377.90492
SMILES: CC[NH+](CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=C(C=C2)OC.[Cl-]
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Product OPENEYE NAME: 2-(diethylamino)ethyl 2-(4-methoxyphenyl)-2-phenyl-acetate
CAS Name: 2-(4-methoxyphenyl)-2-phenylacetic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl 2-(4-methoxyphenyl)-2-phenylacetate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-(4-methoxyphenyl)-2-phenyl-ethanoate
MOLECULAR FORMULA: C21H27NO3
MOLECULAR WEIGHT: 341.44398
SMILES: CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: 3-phenylprop-2-enehydroxamic acid
CAS Name: N-hydroxy-3-phenyl-2-propenamide
IUPAC NAME: N-hydroxy-3-phenylprop-2-enamide
SYSTEMATIC NAME: N-oxidanyl-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1=CC=C(C=C1)C=CC(=O)NO
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Product OPENEYE NAME: 3-(1-methylpyrrolidin-3-yl)-1H-indole
CAS Name: 3-(1-methyl-3-pyrrolidinyl)-1H-indole
IUPAC NAME: 3-(1-methylpyrrolidin-3-yl)-1H-indole
SYSTEMATIC NAME: 3-(1-methylpyrrolidin-3-yl)-1H-indole
MOLECULAR FORMULA: C13H16N2
MOLECULAR WEIGHT: 200.27954
SMILES: CN1CCC(C1)C2=CNC3=CC=CC=C32
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Product OPENEYE NAME: 3-(1-ethylpyrrolidin-3-yl)-1H-indole
CAS Name: 3-(1-ethyl-3-pyrrolidinyl)-1H-indole
IUPAC NAME: 3-(1-ethylpyrrolidin-3-yl)-1H-indole
SYSTEMATIC NAME: 3-(1-ethylpyrrolidin-3-yl)-1H-indole
MOLECULAR FORMULA: C14H18N2
MOLECULAR WEIGHT: 214.30612
SMILES: CCN1CCC(C1)C2=CNC3=CC=CC=C32
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Product OPENEYE NAME: 4-[2-[3-(1H-indol-3-yl)pyrrolidin-1-ium-1-yl]ethyl]morpholin-4-ium dichloride
CAS Name: 4-[2-[3-(1H-indol-3-yl)-1-pyrrolidin-1-iumyl]ethyl]morpholin-4-ium dichloride
IUPAC NAME: 4-[2-[3-(1H-indol-3-yl)pyrrolidin-1-ium-1-yl]ethyl]morpholin-4-ium dichloride
SYSTEMATIC NAME: 4-[2-[3-(1H-indol-3-yl)pyrrolidin-1-ium-1-yl]ethyl]morpholin-4-ium dichloride
MOLECULAR FORMULA: C18H27Cl2N3O
MOLECULAR WEIGHT: 372.33248
SMILES: C1C[NH+](CC1C2=CNC3=CC=CC=C32)CC[NH+]4CCOCC4.[Cl-].[Cl-]
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Product OPENEYE NAME: 4-[2-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethyl]morpholine
CAS Name: 4-[2-[3-(1H-indol-3-yl)-1-pyrrolidinyl]ethyl]morpholine
IUPAC NAME: 4-[2-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethyl]morpholine
SYSTEMATIC NAME: 4-[2-[3-(1H-indol-3-yl)pyrrolidin-1-yl]ethyl]morpholine
MOLECULAR FORMULA: C18H25N3O
MOLECULAR WEIGHT: 299.4106
SMILES: C1CN(CC1C2=CNC3=CC=CC=C32)CCN4CCOCC4
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Product OPENEYE NAME: 6-chloro-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
CAS Name: 6-chloro-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 6-chloro-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 6-chloranyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C8H3ClF3N3O2
MOLECULAR WEIGHT: 265.57653
SMILES: C1=C(C=C2C(=C1[N+](=O)[O-])N=C(N2)C(F)(F)F)Cl
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Product OPENEYE NAME: 6-fluoro-2-(trifluoromethyl)-1H-benzimidazole
CAS Name: 6-fluoro-2-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 6-fluoro-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 6-fluoranyl-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C8H4F4N2
MOLECULAR WEIGHT: 204.124373
SMILES: C1=CC2=C(C=C1F)NC(=N2)C(F)(F)F
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Product OPENEYE NAME: 6-bromo-2-(trifluoromethyl)-1H-benzimidazole
CAS Name: 6-bromo-2-(trifluoromethyl)-1H-benzimidazole
IUPAC NAME: 6-bromo-2-(trifluoromethyl)-1H-benzimidazole
SYSTEMATIC NAME: 6-bromanyl-2-(trifluoromethyl)-1H-benzimidazole
MOLECULAR FORMULA: C8H4BrF3N2
MOLECULAR WEIGHT: 265.02997
SMILES: C1=CC2=C(C=C1Br)NC(=N2)C(F)(F)F
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Product OPENEYE NAME: 2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
CAS Name: 2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
IUPAC NAME: 2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
SYSTEMATIC NAME: 2-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
MOLECULAR FORMULA: C9H4F3N3
MOLECULAR WEIGHT: 211.14337
SMILES: C1=CC2=C(C=C1C#N)NC(=N2)C(F)(F)F
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