Saturday, October 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: [1-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-azetidin-2-yl] propanoate
CAS Name: propanoic acid [1-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-2-azetidinyl] ester
IUPAC NAME: [1-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] propanoate
SYSTEMATIC NAME: [1-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxidanylidene-azetidin-2-yl] propanoate
MOLECULAR FORMULA: C14H27NO4Si
MOLECULAR WEIGHT: 301.45398
SMILES: CCC(=O)OC1CC(=O)N1C(C)O[Si](C)(C)C(C)(C)C
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Product OPENEYE NAME: 4-[2,3-dimethyl-3-(7-methyl-3,4-dihydro-2H-1,2-benzoxazin-6-yl)oxiran-2-yl]-4-methyl-dioxetan-3-one
CAS Name: 4-[2,3-dimethyl-3-(7-methyl-3,4-dihydro-2H-1,2-benzoxazin-6-yl)-2-oxiranyl]-4-methyl-3-dioxetanone
IUPAC NAME: 4-[2,3-dimethyl-3-(7-methyl-3,4-dihydro-2H-1,2-benzoxazin-6-yl)oxiran-2-yl]-4-methyldioxetan-3-one
SYSTEMATIC NAME: 4-[2,3-dimethyl-3-(7-methyl-3,4-dihydro-2H-1,2-benzoxazin-6-yl)oxiran-2-yl]-4-methyl-1,2-dioxetan-3-one
MOLECULAR FORMULA: C16H19NO5
MOLECULAR WEIGHT: 305.32576
SMILES: CC1=CC2=C(CCNO2)C=C1C3(C(O3)(C)C4(C(=O)OO4)C)C
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Product OPENEYE NAME: 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxy-ethanol; vinyloxyethylene
CAS Name: ethenoxyethene; 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol
IUPAC NAME: ethenoxyethene; 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol
SYSTEMATIC NAME: ethenoxyethene; 2-[2-(2-hydroxyethyloxy)ethoxy]-1-methoxy-ethanol
MOLECULAR FORMULA: C11H22O6
MOLECULAR WEIGHT: 250.28878
SMILES: COC(COCCOCCO)O.C=COC=C
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Product OPENEYE NAME: 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxy-ethanol
CAS Name: 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol
IUPAC NAME: 2-[2-(2-hydroxyethoxy)ethoxy]-1-methoxyethanol
SYSTEMATIC NAME: 2-[2-(2-hydroxyethyloxy)ethoxy]-1-methoxy-ethanol
MOLECULAR FORMULA: C7H16O5
MOLECULAR WEIGHT: 180.19894
SMILES: COC(COCCOCCO)O
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Product OPENEYE NAME: methoxymethane; 2-[2-[2-(2-vinyloxyethoxy)ethoxy]ethoxy]ethanol
CAS Name: 2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethanol; methoxymethane
IUPAC NAME: 2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethanol; methoxymethane
SYSTEMATIC NAME: 2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethanol; methoxymethane
MOLECULAR FORMULA: C12H26O6
MOLECULAR WEIGHT: 266.33124
SMILES: COC.C=COCCOCCOCCOCCO
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Product OPENEYE NAME: 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxy-ethanol; vinyloxyethylene
CAS Name: ethenoxyethene; 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol
IUPAC NAME: ethenoxyethene; 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol
SYSTEMATIC NAME: ethenoxyethene; 2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]-1-methoxy-ethanol
MOLECULAR FORMULA: C13H26O7
MOLECULAR WEIGHT: 294.34134
SMILES: COC(COCCOCCOCCO)O.C=COC=C
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Product OPENEYE NAME: 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxy-ethanol
CAS Name: 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol
IUPAC NAME: 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol
SYSTEMATIC NAME: 2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]-1-methoxy-ethanol
MOLECULAR FORMULA: C9H20O6
MOLECULAR WEIGHT: 224.2515
SMILES: COC(COCCOCCOCCO)O
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Product OPENEYE NAME: 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)benzoyl chloride
CAS Name: 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)benzoyl chloride
IUPAC NAME: 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)benzoyl chloride
SYSTEMATIC NAME: 3-methyl-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)benzoyl chloride
MOLECULAR FORMULA: C15H11ClN2O
MOLECULAR WEIGHT: 270.71364
SMILES: CC1=CC=CC(=C1C2=CC3=C(N2)N=CC=C3)C(=O)Cl
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Product OPENEYE NAME: 4,5-dimethyl-1H-pyrrolo[2,3-b]pyridine
CAS Name: 4,5-dimethyl-1H-pyrrolo[2,3-b]pyridine
IUPAC NAME: 4,5-dimethyl-1H-pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 4,5-dimethyl-1H-pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C9H10N2
MOLECULAR WEIGHT: 146.1891
SMILES: CC1=CN=C2C(=C1C)C=CN2
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Product OPENEYE NAME: 2-methyl-7-(2-phenylethyl)pyrrolo[2,3-b]pyridine
CAS Name: 2-methyl-7-(2-phenylethyl)pyrrolo[2,3-b]pyridine
IUPAC NAME: 2-methyl-7-(2-phenylethyl)pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 2-methyl-7-(2-phenylethyl)pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C16H16N2
MOLECULAR WEIGHT: 236.31164
SMILES: CC1=CC2=CC=CN(C2=N1)CCC3=CC=CC=C3
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Product OPENEYE NAME: 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-(4-fluorophenyl)ethanone
CAS Name: 2-(2,3-dimethyl-7-pyrrolo[2,3-b]pyridinyl)-1-(4-fluorophenyl)ethanone
IUPAC NAME: 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-(4-fluorophenyl)ethanone
SYSTEMATIC NAME: 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-(4-fluorophenyl)ethanone
MOLECULAR FORMULA: C17H15FN2O
MOLECULAR WEIGHT: 282.312203
SMILES: CC1=C(N=C2C1=CC=CN2CC(=O)C3=CC=C(C=C3)F)C
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Product OPENEYE NAME: 1-(5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethyl-methanamine
CAS Name: 1-(5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
IUPAC NAME: 1-(5-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
SYSTEMATIC NAME: 1-(5-fluoranyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethyl-methanamine
MOLECULAR FORMULA: C11H14FN3
MOLECULAR WEIGHT: 207.247363
SMILES: CC1=C(C2=CC(=CN=C2N1)F)CN(C)C
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Product OPENEYE NAME: 2-[7-[2-(2-methoxyphenyl)-2-oxo-ethyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetonitrile
CAS Name: 2-[7-[2-(2-methoxyphenyl)-2-oxoethyl]-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetonitrile
IUPAC NAME: 2-[7-[2-(2-methoxyphenyl)-2-oxoethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile
SYSTEMATIC NAME: 2-[7-[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanenitrile
MOLECULAR FORMULA: C19H17N3O2
MOLECULAR WEIGHT: 319.35718
SMILES: CC1=C(C2=CC=CN(C2=N1)CC(=O)C3=CC=CC=C3OC)CC#N
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Product OPENEYE NAME: 1-(2,6-difluorophenyl)-2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)ethanone hydrobromide
CAS Name: 1-(2,6-difluorophenyl)-2-(2,3-dimethyl-7-pyrrolo[2,3-b]pyridinyl)ethanone hydrobromide
IUPAC NAME: 1-(2,6-difluorophenyl)-2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)ethanone hydrobromide
SYSTEMATIC NAME: 1-[2,6-bis(fluoranyl)phenyl]-2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)ethanone hydrobromide
MOLECULAR FORMULA: C17H15BrF2N2O
MOLECULAR WEIGHT: 381.214606
SMILES: CC1=C(N=C2C1=CC=CN2CC(=O)C3=C(C=CC=C3F)F)C.Br
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Product OPENEYE NAME: 1-(2,6-difluorophenyl)-2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)ethanone
CAS Name: 1-(2,6-difluorophenyl)-2-(2,3-dimethyl-7-pyrrolo[2,3-b]pyridinyl)ethanone
IUPAC NAME: 1-(2,6-difluorophenyl)-2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)ethanone
SYSTEMATIC NAME: 1-[2,6-bis(fluoranyl)phenyl]-2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)ethanone
MOLECULAR FORMULA: C17H14F2N2O
MOLECULAR WEIGHT: 300.302666
SMILES: CC1=C(N=C2C1=CC=CN2CC(=O)C3=C(C=CC=C3F)F)C
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Product OPENEYE NAME: (7-phenacylpyrrolo[2,3-b]pyridin-2-yl) 3-methylbenzoate
CAS Name: 3-methylbenzoic acid (7-phenacyl-2-pyrrolo[2,3-b]pyridinyl) ester
IUPAC NAME: (7-phenacylpyrrolo[2,3-b]pyridin-2-yl) 3-methylbenzoate
SYSTEMATIC NAME: (7-phenacylpyrrolo[2,3-b]pyridin-2-yl) 3-methylbenzoate
MOLECULAR FORMULA: C23H18N2O3
MOLECULAR WEIGHT: 370.40062
SMILES: CC1=CC=CC(=C1)C(=O)OC2=CC3=CC=CN(C3=N2)CC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-(3-methoxyphenyl)ethanone
CAS Name: 2-(2,3-dimethyl-7-pyrrolo[2,3-b]pyridinyl)-1-(3-methoxyphenyl)ethanone
IUPAC NAME: 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-(3-methoxyphenyl)ethanone
SYSTEMATIC NAME: 2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-(3-methoxyphenyl)ethanone
MOLECULAR FORMULA: C18H18N2O2
MOLECULAR WEIGHT: 294.34772
SMILES: CC1=C(N=C2C1=CC=CN2CC(=O)C3=CC(=CC=C3)OC)C
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Product OPENEYE NAME: trimethyl(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)ammonium
CAS Name: trimethyl(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)ammonium
IUPAC NAME: trimethyl(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)azanium
SYSTEMATIC NAME: trimethyl(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)azanium
MOLECULAR FORMULA: C11H16N3+
MOLECULAR WEIGHT: 190.26484
SMILES: C[N+](C)(C)CC1=C2C=CNC2=NC=C1
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Product OPENEYE NAME: 3-chloro-2-methyl-7-(2-phenylethyl)pyrrolo[2,3-b]pyridine hydrobromide
CAS Name: 3-chloro-2-methyl-7-(2-phenylethyl)pyrrolo[2,3-b]pyridine hydrobromide
IUPAC NAME: 3-chloro-2-methyl-7-(2-phenylethyl)pyrrolo[2,3-b]pyridine hydrobromide
SYSTEMATIC NAME: 3-chloranyl-2-methyl-7-(2-phenylethyl)pyrrolo[2,3-b]pyridine hydrobromide
MOLECULAR FORMULA: C16H16BrClN2
MOLECULAR WEIGHT: 351.66864
SMILES: CC1=C(C2=CC=CN(C2=N1)CCC3=CC=CC=C3)Cl.Br
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Product OPENEYE NAME: 3-chloro-2-methyl-7-(2-phenylethyl)pyrrolo[2,3-b]pyridine
CAS Name: 3-chloro-2-methyl-7-(2-phenylethyl)pyrrolo[2,3-b]pyridine
IUPAC NAME: 3-chloro-2-methyl-7-(2-phenylethyl)pyrrolo[2,3-b]pyridine
SYSTEMATIC NAME: 3-chloranyl-2-methyl-7-(2-phenylethyl)pyrrolo[2,3-b]pyridine
MOLECULAR FORMULA: C16H15ClN2
MOLECULAR WEIGHT: 270.7567
SMILES: CC1=C(C2=CC=CN(C2=N1)CCC3=CC=CC=C3)Cl
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Product OPENEYE NAME: 2-(2,3-dimethyl-5-methylsulfinyl-pyrrolo[2,3-b]pyridin-7-yl)-1-phenyl-ethanone
CAS Name: 2-(2,3-dimethyl-5-methylsulfinyl-7-pyrrolo[2,3-b]pyridinyl)-1-phenylethanone
IUPAC NAME: 2-(2,3-dimethyl-5-methylsulfinylpyrrolo[2,3-b]pyridin-7-yl)-1-phenylethanone
SYSTEMATIC NAME: 2-(2,3-dimethyl-5-methylsulfinyl-pyrrolo[2,3-b]pyridin-7-yl)-1-phenyl-ethanone
MOLECULAR FORMULA: C18H18N2O2S
MOLECULAR WEIGHT: 326.41272
SMILES: CC1=C(N=C2C1=CC(=CN2CC(=O)C3=CC=CC=C3)S(=O)C)C
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Product OPENEYE NAME: 4-[2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-hydroxy-ethyl]benzonitrile
CAS Name: 4-[2-(2,3-dimethyl-7-pyrrolo[2,3-b]pyridinyl)-1-hydroxyethyl]benzonitrile
IUPAC NAME: 4-[2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-hydroxyethyl]benzonitrile
SYSTEMATIC NAME: 4-[2-(2,3-dimethylpyrrolo[2,3-b]pyridin-7-yl)-1-oxidanyl-ethyl]benzenecarbonitrile
MOLECULAR FORMULA: C18H17N3O
MOLECULAR WEIGHT: 291.34708
SMILES: CC1=C(N=C2C1=CC=CN2CC(C3=CC=C(C=C3)C#N)O)C
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Product OPENEYE NAME: 2-[7-[1-benzoyl-3-(2,4-difluorophenyl)-3-oxo-propyl]-5-fluoro-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetonitrile hydrochloride
CAS Name: 2-[7-[4-(2,4-difluorophenyl)-1,4-dioxo-1-phenylbutan-2-yl]-5-fluoro-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetonitrile hydrochloride
IUPAC NAME: 2-[7-[4-(2,4-difluorophenyl)-1,4-dioxo-1-phenylbutan-2-yl]-5-fluoro-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetonitrile hydrochloride
SYSTEMATIC NAME: 2-[7-[4-[2,4-bis(fluoranyl)phenyl]-1,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]-5-fluoranyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanenitrile hydrochloride
MOLECULAR FORMULA: C26H19ClF3N3O2
MOLECULAR WEIGHT: 497.89617
SMILES: CC1=C(C2=CC(=CN(C2=N1)C(CC(=O)C3=C(C=C(C=C3)F)F)C(=O)C4=CC=CC=C4)F)CC#N.Cl
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