Friday, August 12, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 7-chloro-5-phenyl-1-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one
CAS Name: 7-chloro-5-phenyl-1-[2-(1-pyrrolidinyl)ethyl]-3H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-chloro-5-phenyl-1-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-5-phenyl-1-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C21H22ClN3O
MOLECULAR WEIGHT: 367.87188
SMILES: C1CCN(C1)CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4
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Product OPENEYE NAME: 7-chloro-5-phenyl-1-[2-(1-piperidyl)ethyl]-3H-1,4-benzodiazepin-2-one
CAS Name: 7-chloro-5-phenyl-1-[2-(1-piperidinyl)ethyl]-3H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-chloro-5-phenyl-1-(2-piperidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-5-phenyl-1-(2-piperidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C22H24ClN3O
MOLECULAR WEIGHT: 381.89846
SMILES: C1CCN(CC1)CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4
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Product OPENEYE NAME: 7-chloro-1-(2-morpholinoethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
CAS Name: 7-chloro-1-[2-(4-morpholinyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-chloro-1-(2-morpholin-4-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-1-(2-morpholin-4-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C21H22ClN3O2
MOLECULAR WEIGHT: 383.87128
SMILES: C1COCCN1CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4
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Product OPENEYE NAME: 4-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate
CAS Name: 3,4,5-trimethoxybenzoic acid 4-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]butyl ester
IUPAC NAME: 4-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: 4-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]butyl 3,4,5-trimethoxybenzoate
MOLECULAR FORMULA: C26H34N2O5
MOLECULAR WEIGHT: 454.55856
SMILES: CCN(CCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CNC3=CC=CC=C32
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Product OPENEYE NAME: 4-(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenyl-butanenitrile
CAS Name: 4-(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile
IUPAC NAME: 4-(1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile
SYSTEMATIC NAME: 4-(1-oxidanylidene-4-phenyl-2,4,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenyl-butanenitrile
MOLECULAR FORMULA: C29H30N4O
MOLECULAR WEIGHT: 450.5747
SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 2-butyl-9'-fluoro-11'-hydroxy-2-methoxy-10',13',16'-trimethyl-spiro[1,3-dioxane-4,17'-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene]-3',5-dione
CAS Name: 2-butyl-9'-fluoro-11'-hydroxy-2-methoxy-10',13',16'-trimethylspiro[1,3-dioxane-4,17'-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene]-3',5-dione
IUPAC NAME: 2-butyl-9'-fluoro-11'-hydroxy-2-methoxy-10',13',16'-trimethylspiro[1,3-dioxane-4,17'-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene]-3',5-dione
SYSTEMATIC NAME: 2-butyl-9'-fluoranyl-2-methoxy-10',13',16'-trimethyl-11'-oxidanyl-spiro[1,3-dioxane-4,17'-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene]-3',5-dione
MOLECULAR FORMULA: C28H39FO6
MOLECULAR WEIGHT: 490.604063
SMILES: CCCCC1(OCC(=O)C2(O1)C(CC3C2(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)C)OC
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Product OPENEYE NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
IUPAC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C10H17N5O16P4
MOLECULAR WEIGHT: 587.160924
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
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Product OPENEYE NAME: [2-acetoxy-4-(3,5,7-triacetoxy-4-oxo-chromen-2-yl)phenyl] acetate
CAS Name: acetic acid [2-acetyloxy-4-(3,5,7-triacetyloxy-4-oxo-1-benzopyran-2-yl)phenyl] ester
IUPAC NAME: [2-acetyloxy-4-(3,5,7-triacetyloxy-4-oxochromen-2-yl)phenyl] acetate
SYSTEMATIC NAME: [2-acetyloxy-4-(3,5,7-triacetyloxy-4-oxidanylidene-chromen-2-yl)phenyl] ethanoate
MOLECULAR FORMULA: C25H20O12
MOLECULAR WEIGHT: 512.4191
SMILES: CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: 7-chloro-1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
CAS Name: 7-chloro-1-[3-[4-(2-ethoxyethyl)-1-piperazinyl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-chloro-1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C26H32ClFN4O2
MOLECULAR WEIGHT: 487.009283
SMILES: CCOCCN1CCN(CC1)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F
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Product OPENEYE NAME: 7-chloro-5-(2-fluorophenyl)-1-[3-[4-(2-vinyloxyethyl)piperazin-1-yl]propyl]-3H-1,4-benzodiazepin-2-one
CAS Name: 7-chloro-1-[3-[4-(2-ethenoxyethyl)-1-piperazinyl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-chloro-1-[3-[4-(2-ethenoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-1-[3-[4-(2-ethenoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C26H30ClFN4O2
MOLECULAR WEIGHT: 484.993403
SMILES: C=COCCN1CCN(CC1)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F
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Product OPENEYE NAME: chromic triacetate
CAS Name: chromium(3+) triacetate
IUPAC NAME: chromium(3+) triacetate
SYSTEMATIC NAME: chromium(3+) triethanoate
MOLECULAR FORMULA: C6H9CrO6
MOLECULAR WEIGHT: 229.12816
SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Cr+3]
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Product OPENEYE NAME: ammonium hydrogen carbonate
CAS Name: ammonium hydrogen carbonate
IUPAC NAME: azanium hydrogen carbonate
SYSTEMATIC NAME: azanium hydrogen carbonate
MOLECULAR FORMULA: CH5NO3
MOLECULAR WEIGHT: 79.0553
SMILES: C(=O)(O)[O-].[NH4+]
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Product OPENEYE NAME: dihydroxy(dimethyl)silane
CAS Name: dihydroxy(dimethyl)silane
IUPAC NAME: dihydroxy(dimethyl)silane
SYSTEMATIC NAME: dimethyl-bis(oxidanyl)silane
MOLECULAR FORMULA: C2H8O2Si
MOLECULAR WEIGHT: 92.16922
SMILES: C[Si](C)(O)O
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Product OPENEYE NAME: bromo(trimethyl)stannane
CAS Name: bromo(trimethyl)stannane
IUPAC NAME: bromo(trimethyl)stannane
SYSTEMATIC NAME: bromanyl(trimethyl)stannane
MOLECULAR FORMULA: C3H9BrSn
MOLECULAR WEIGHT: 243.71756
SMILES: C[Sn](C)(C)Br
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Product OPENEYE NAME: chloro(trimethyl)stannane
CAS Name: chloro(trimethyl)stannane
IUPAC NAME: chloro(trimethyl)stannane
SYSTEMATIC NAME: chloranyl(trimethyl)stannane
MOLECULAR FORMULA: C3H9ClSn
MOLECULAR WEIGHT: 199.26656
SMILES: C[Sn](C)(C)Cl
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Product OPENEYE NAME: aminomethylphosphonic acid
CAS Name: aminomethylphosphonic acid
IUPAC NAME: aminomethylphosphonic acid
SYSTEMATIC NAME: aminomethylphosphonic acid
MOLECULAR FORMULA: CH6NO3P
MOLECULAR WEIGHT: 111.037001
SMILES: C(N)P(=O)(O)O
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Product OPENEYE NAME: 3-ethyl-3-methyl-pentane
CAS Name: 3-ethyl-3-methylpentane
IUPAC NAME: 3-ethyl-3-methylpentane
SYSTEMATIC NAME: 3-ethyl-3-methyl-pentane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CCC(C)(CC)CC
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Product OPENEYE NAME: chloro(triethyl)plumbane
CAS Name: chloro(triethyl)plumbane
IUPAC NAME: chloro(triethyl)plumbane
SYSTEMATIC NAME: chloranyl(triethyl)plumbane
MOLECULAR FORMULA: C6H15ClPb
MOLECULAR WEIGHT: 329.8363
SMILES: CC[Pb](CC)(CC)Cl
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Product OPENEYE NAME: 3,3-diethylpentane
CAS Name: 3,3-diethylpentane
IUPAC NAME: 3,3-diethylpentane
SYSTEMATIC NAME: 3,3-diethylpentane
MOLECULAR FORMULA: C9H20
MOLECULAR WEIGHT: 128.2551
SMILES: CCC(CC)(CC)CC
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Product OPENEYE NAME: tripropylstannane
CAS Name: tripropylstannane
IUPAC NAME: tripropylstannane
SYSTEMATIC NAME: tripropylstannane
MOLECULAR FORMULA: C9H22Sn
MOLECULAR WEIGHT: 248.98098
SMILES: CCC[SnH](CCC)CCC
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Product OPENEYE NAME: acetic acid; dibutyltin
CAS Name: acetic acid; dibutyltin
IUPAC NAME: acetic acid; dibutyltin
SYSTEMATIC NAME: dibutyltin; ethanoic acid
MOLECULAR FORMULA: C12H26O4Sn
MOLECULAR WEIGHT: 353.04244
SMILES: CCCC[Sn]CCCC.CC(=O)O.CC(=O)O
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Product OPENEYE NAME: 4-triethoxysilylbutanenitrile
CAS Name: 4-triethoxysilylbutanenitrile
IUPAC NAME: 4-triethoxysilylbutanenitrile
SYSTEMATIC NAME: 4-triethoxysilylbutanenitrile
MOLECULAR FORMULA: C10H21NO3Si
MOLECULAR WEIGHT: 231.36414
SMILES: CCO[Si](CCCC#N)(OCC)OCC
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Product OPENEYE NAME: tris(2-methoxyethoxy)-vinyl-silane
CAS Name: ethenyl-tris(2-methoxyethoxy)silane
IUPAC NAME: ethenyl-tris(2-methoxyethoxy)silane
SYSTEMATIC NAME: ethenyl-tris(2-methoxyethoxy)silane
MOLECULAR FORMULA: C11H24O6Si
MOLECULAR WEIGHT: 280.39016
SMILES: COCCO[Si](C=C)(OCCOC)OCCOC
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Product OPENEYE NAME: triethyl-[4-(triethylammonio)butyl]ammonium dibromide
CAS Name: triethyl-[4-(triethylammonio)butyl]ammonium dibromide
IUPAC NAME: triethyl-[4-(triethylazaniumyl)butyl]azanium dibromide
SYSTEMATIC NAME: triethyl-[4-(triethylazaniumyl)butyl]azanium dibromide
MOLECULAR FORMULA: C16H38Br2N2
MOLECULAR WEIGHT: 418.29432
SMILES: CC[N+](CC)(CC)CCCC[N+](CC)(CC)CC.[Br-].[Br-]
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