Sunday, August 14, 2011

All Chemical Compounds Information



Product OPENEYE NAME: 7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride
CAS Name: 7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride
IUPAC NAME: 7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride
SYSTEMATIC NAME: 7-chloranyl-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one dihydrochloride
MOLECULAR FORMULA: C22H28Cl3N3O
MOLECULAR WEIGHT: 456.83622
SMILES: CCN(CC)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.Cl.Cl
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Product OPENEYE NAME: 7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CAS Name: 7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
IUPAC NAME: 7-chloro-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 7-chloranyl-1-[3-(diethylamino)propyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C22H26ClN3O
MOLECULAR WEIGHT: 383.91434
SMILES: CCN(CC)CCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
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Product OPENEYE NAME: (3S,9S,14S,17S)-17-[3-(dimethylamino)propyl-methyl-amino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol dihydrochloride
CAS Name: (3S,9S,14S,17S)-17-[3-(dimethylamino)propyl-methylamino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol dihydrochloride
IUPAC NAME: (3S,9S,14S,17S)-17-[3-(dimethylamino)propyl-methylamino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol dihydrochloride
SYSTEMATIC NAME: (3S,9S,14S,17S)-17-[3-(dimethylamino)propyl-methyl-amino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol dihydrochloride
MOLECULAR FORMULA: C25H46Cl2N2O
MOLECULAR WEIGHT: 461.55154
SMILES: CC12CC[C@H]3C([C@@H]1CC[C@@H]2N(C)CCCN(C)C)CC=C4C3(CC[C@@H](C4)O)C.Cl.Cl
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Product OPENEYE NAME: (3S,9S,14S,17S)-17-[3-(dimethylamino)propyl-methyl-amino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
CAS Name: (3S,9S,14S,17S)-17-[3-(dimethylamino)propyl-methylamino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC NAME: (3S,9S,14S,17S)-17-[3-(dimethylamino)propyl-methylamino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,9S,14S,17S)-17-[3-(dimethylamino)propyl-methyl-amino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C25H44N2O
MOLECULAR WEIGHT: 388.62966
SMILES: CC12CC[C@H]3C([C@@H]1CC[C@@H]2N(C)CCCN(C)C)CC=C4C3(CC[C@@H](C4)O)C
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Product OPENEYE NAME: N-[2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]phenyl]acetamide
CAS Name: N-[2-[4-[2-(3,4-dimethoxyphenyl)ethyl]-1-piperazinyl]phenyl]acetamide
IUPAC NAME: N-[2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]phenyl]acetamide
SYSTEMATIC NAME: N-[2-[4-[2-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]phenyl]ethanamide
MOLECULAR FORMULA: C22H29N3O3
MOLECULAR WEIGHT: 383.48396
SMILES: CC(=O)NC1=CC=CC=C1N2CCN(CC2)CCC3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H46O2
MOLECULAR WEIGHT: 402.65294
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC4C5(C3(CC[C@@H](C5)O)C)O4)C
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Product OPENEYE NAME: [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
CAS Name: formic acid [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
SYSTEMATIC NAME: [(3S,5R,10S,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] methanoate
MOLECULAR FORMULA: C24H34O5
MOLECULAR WEIGHT: 402.52376
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC=O
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Product OPENEYE NAME: 4-morpholino-2-(2-morpholinoethyl)-2-(1-naphthyl)butanenitrile
CAS Name: 4-(4-morpholinyl)-2-[2-(4-morpholinyl)ethyl]-2-(1-naphthalenyl)butanenitrile
IUPAC NAME: 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanenitrile
SYSTEMATIC NAME: 4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-yl-butanenitrile
MOLECULAR FORMULA: C24H31N3O2
MOLECULAR WEIGHT: 393.52184
SMILES: C1COCCN1CCC(CCN2CCOCC2)(C#N)C3=CC=CC4=CC=CC=C43
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Product OPENEYE NAME: N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide
CAS Name: N-[4-[4-[3-(dimethylamino)propyl]-1-piperazinyl]phenyl]acetamide
IUPAC NAME: N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]ethanamide
MOLECULAR FORMULA: C17H28N4O
MOLECULAR WEIGHT: 304.43042
SMILES: CC(=O)NC1=CC=C(C=C1)N2CCN(CC2)CCCN(C)C
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Product OPENEYE NAME: [(16R)-17-acetyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] hexanoate
CAS Name: hexanoic acid [(16R)-17-acetyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] ester
IUPAC NAME: [(16R)-17-acetyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] hexanoate
SYSTEMATIC NAME: [(16R)-17-ethanoyl-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] hexanoate
MOLECULAR FORMULA: C26H38O4
MOLECULAR WEIGHT: 414.57752
SMILES: CCCCCC(=O)O[C@@H]1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1C(=O)C)C
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Product OPENEYE NAME: didecyl phenyl phosphite
CAS Name: phosphorous acid didecyl phenyl ester
IUPAC NAME: didecyl phenyl phosphite
SYSTEMATIC NAME: didecyl phenyl phosphite
MOLECULAR FORMULA: C26H47O3P
MOLECULAR WEIGHT: 438.623341
SMILES: CCCCCCCCCCOP(OCCCCCCCCCC)OC1=CC=CC=C1
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Product OPENEYE NAME: [2-[(9R,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-16-methylene-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
CAS Name: acetic acid [2-[(9R,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-16-methylene-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
IUPAC NAME: [2-[(9R,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-16-methylidene-3-oxo-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(9R,17R)-9-fluoranyl-10,13-dimethyl-16-methylidene-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C24H29FO6
MOLECULAR WEIGHT: 432.481863
SMILES: CC(=O)OCC(=O)[C@]1(C(=C)CC2C1(CC([C@]3(C2CCC4=CC(=O)C=CC43C)F)O)C)O
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Product OPENEYE NAME: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate
CAS Name: 3-phenylpropanoic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate
MOLECULAR FORMULA: C28H36O3
MOLECULAR WEIGHT: 420.58364
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CC[C@]35C
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Product OPENEYE NAME: [2-(2-formyl-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate
CAS Name: acetic acid [2-(2-formyl-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(2-formyl-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[2-methanoyl-10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C24H30O7
MOLECULAR WEIGHT: 430.4908
SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C(=CC34C)C=O)O)C)O
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Product OPENEYE NAME: 17-(1,5-dimethylhexyl)-3-isopropoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CAS Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-3-propan-2-yloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)-3-propan-2-yloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)-3-propan-2-yloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C30H52O
MOLECULAR WEIGHT: 428.73328
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(C)C)C)C
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Product OPENEYE NAME: [(3S,5R,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
CAS Name: formic acid [(3S,5R,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5R,10S,12R,13S,14S,17R)-12-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
SYSTEMATIC NAME: [(3S,5R,10S,12R,13S,14S,17R)-12-methanoyloxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] methanoate
MOLECULAR FORMULA: C25H34O7
MOLECULAR WEIGHT: 446.53326
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)OC=O)OC=O
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Product OPENEYE NAME: [(3S,5R,10S,13R,14S,16S,17R)-16-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
CAS Name: formic acid [(3S,5R,10S,13R,14S,16S,17R)-16-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5R,10S,13R,14S,16S,17R)-16-formyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] formate
SYSTEMATIC NAME: [(3S,5R,10S,13R,14S,16S,17R)-16-methanoyloxy-10,13-dimethyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] methanoate
MOLECULAR FORMULA: C25H34O7
MOLECULAR WEIGHT: 446.53326
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=CC(=O)OC5)OC=O)O)C)OC=O
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Product OPENEYE NAME: [(3S,5S)-17-(1,5-dimethylhexyl)-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
CAS Name: acetic acid [(3S,5S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxidanylidene-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C29H48O3
MOLECULAR WEIGHT: 444.68962
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)[C@@H]4C3(CC[C@@H](C4)OC(=O)C)C)C
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Product OPENEYE NAME: 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]anthracene-2-carboxylic acid
CAS Name: 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-2-anthracenecarboxylic acid
IUPAC NAME: 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid
SYSTEMATIC NAME: 7-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1-methyl-3,5,6,8-tetrakis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
MOLECULAR FORMULA: C22H20O13
MOLECULAR WEIGHT: 492.3864
SMILES: CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
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Product OPENEYE NAME: O4-[(2R,3S,4R,6S)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyl-tetr
CAS Name: butanedioic acid O4-[(2R,3S,4R,6S)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-meth
IUPAC NAME: 4-O-[(2R,3S,4R,6S)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] 1-O-e
SYSTEMATIC NAME: O4-[(2R,3S,4R,6S)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7,12,13-tris(oxidanyl)-2,10-bis(oxidanylidene)-1-oxacyclotetradec-6-yl]oxy]-6-me
MOLECULAR FORMULA: C43H75NO16
MOLECULAR WEIGHT: 862.0527
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@@H]3[C@H]([C@@H](C[C@@H](O3)C)N(C)C)OC(=O)CCC(=O)OCC)(C)O)C)C)O)(C)O
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