Saturday, August 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
CAS Name: 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
IUPAC NAME: 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C11H11F3N2
MOLECULAR WEIGHT: 228.21365
SMILES: C1CN=C(N1)CC2=CC=C(C=C2)C(F)(F)F
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Product OPENEYE NAME: 2-(p-tolylmethyl)-4,5-dihydro-1H-imidazole
CAS Name: 2-[(4-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
IUPAC NAME: 2-[(4-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-[(4-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C11H14N2
MOLECULAR WEIGHT: 174.24226
SMILES: CC1=CC=C(C=C1)CC2=NCCN2
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Product OPENEYE NAME: N'-isopropylpyridine-3-carbohydrazide
CAS Name: N'-propan-2-yl-3-pyridinecarbohydrazide
IUPAC NAME: N'-propan-2-ylpyridine-3-carbohydrazide
SYSTEMATIC NAME: N'-propan-2-ylpyridine-3-carbohydrazide
MOLECULAR FORMULA: C9H13N3O
MOLECULAR WEIGHT: 179.21902
SMILES: CC(C)NNC(=O)C1=CN=CC=C1
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Product OPENEYE NAME: [2-(2,6-dimethylanilino)-2-oxo-ethyl]-dimethyl-(2-phenylethyl)ammonium bromide
CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-(2-phenylethyl)ammonium bromide
IUPAC NAME: [2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-(2-phenylethyl)azanium bromide
SYSTEMATIC NAME: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-(2-phenylethyl)azanium bromide
MOLECULAR FORMULA: C20H27BrN2O
MOLECULAR WEIGHT: 391.34518
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CCC2=CC=CC=C2.[Br-]
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Product OPENEYE NAME: [2-(2,6-dimethylanilino)-2-oxo-ethyl]-dimethyl-(2-phenylethyl)ammonium
CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-(2-phenylethyl)ammonium
IUPAC NAME: [2-(2,6-dimethylanilino)-2-oxoethyl]-dimethyl-(2-phenylethyl)azanium
SYSTEMATIC NAME: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-dimethyl-(2-phenylethyl)azanium
MOLECULAR FORMULA: C20H27N2O+
MOLECULAR WEIGHT: 311.44118
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C[N+](C)(C)CCC2=CC=CC=C2
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Product OPENEYE NAME: 2,2-dibromoacetaldehyde
CAS Name: 2,2-dibromoacetaldehyde
IUPAC NAME: 2,2-dibromoacetaldehyde
SYSTEMATIC NAME: 2,2-bis(bromanyl)ethanal
MOLECULAR FORMULA: C2H2Br2O
MOLECULAR WEIGHT: 201.84468
SMILES: C(=O)C(Br)Br
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Product OPENEYE NAME: 2-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one hydrochloride
CAS Name: 2-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one hydrochloride
IUPAC NAME: 2-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one hydrochloride
SYSTEMATIC NAME: 2-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one hydrochloride
MOLECULAR FORMULA: C25H42ClNO2
MOLECULAR WEIGHT: 424.05948
SMILES: CCN(CC)CCOC1CCC2=CCC3C4CCC(=O)C4(CCC3C2(C1)C)C.Cl
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Product OPENEYE NAME: 2-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CAS Name: 2-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
IUPAC NAME: 2-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: 2-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C25H41NO2
MOLECULAR WEIGHT: 387.59854
SMILES: CCN(CC)CCOC1CCC2=CCC3C4CCC(=O)C4(CCC3C2(C1)C)C
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Product OPENEYE NAME: 1-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate
CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate
IUPAC NAME: 1-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate
SYSTEMATIC NAME: 1-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydroquinolin-2-one; 2,4,6-trinitrophenolate
MOLECULAR FORMULA: C21H23N5O9
MOLECULAR WEIGHT: 489.43542
SMILES: C1CC(=O)N(C2=CC=CC=C21)CC[NH+]3CCOCC3.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 1-(2-morpholinoethyl)-3,4-dihydroquinolin-2-one
CAS Name: 1-[2-(4-morpholinyl)ethyl]-3,4-dihydroquinolin-2-one
IUPAC NAME: 1-(2-morpholin-4-ylethyl)-3,4-dihydroquinolin-2-one
SYSTEMATIC NAME: 1-(2-morpholin-4-ylethyl)-3,4-dihydroquinolin-2-one
MOLECULAR FORMULA: C15H20N2O2
MOLECULAR WEIGHT: 260.3315
SMILES: C1CC(=O)N(C2=CC=CC=C21)CCN3CCOCC3
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Product OPENEYE NAME: dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]ammonium chloride
CAS Name: dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]ammonium chloride
IUPAC NAME: dimethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride
SYSTEMATIC NAME: dimethyl-[2-(2-oxidanylidene-3,4-dihydroquinolin-1-yl)ethyl]azanium chloride
MOLECULAR FORMULA: C13H19ClN2O
MOLECULAR WEIGHT: 254.75576
SMILES: C[NH+](C)CCN1C(=O)CCC2=CC=CC=C21.[Cl-]
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Product OPENEYE NAME: 1-[2-(dimethylamino)ethyl]-3,4-dihydroquinolin-2-one
CAS Name: 1-[2-(dimethylamino)ethyl]-3,4-dihydroquinolin-2-one
IUPAC NAME: 1-[2-(dimethylamino)ethyl]-3,4-dihydroquinolin-2-one
SYSTEMATIC NAME: 1-[2-(dimethylamino)ethyl]-3,4-dihydroquinolin-2-one
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CN(C)CCN1C(=O)CCC2=CC=CC=C21
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Product OPENEYE NAME: (3S)-3-acetoxy-4-(trimethylammonio)butanoate
CAS Name: (3S)-3-acetyloxy-4-(trimethylammonio)butanoate
IUPAC NAME: (3S)-3-acetyloxy-4-(trimethylazaniumyl)butanoate
SYSTEMATIC NAME: (3S)-3-acetyloxy-4-(trimethylazaniumyl)butanoate
MOLECULAR FORMULA: C9H17NO4
MOLECULAR WEIGHT: 203.23558
SMILES: CC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C
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Product OPENEYE NAME: [(2S)-2-acetoxy-3-carboxy-propyl]-trimethyl-ammonium
CAS Name: [(2S)-2-acetyloxy-3-carboxypropyl]-trimethylammonium
IUPAC NAME: [(2S)-2-acetyloxy-3-carboxypropyl]-trimethylazanium
SYSTEMATIC NAME: [(2S)-2-acetyloxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium
MOLECULAR FORMULA: C9H18NO4+
MOLECULAR WEIGHT: 204.24352
SMILES: CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C
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Product OPENEYE NAME: 2-(1-piperidyl)ethanol
CAS Name: 2-(1-piperidinyl)ethanol
IUPAC NAME: 2-piperidin-1-ylethanol
SYSTEMATIC NAME: 2-piperidin-1-ylethanol
MOLECULAR FORMULA: C7H15NO
MOLECULAR WEIGHT: 129.2001
SMILES: C1CCN(CC1)CCO
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Product OPENEYE NAME: 1,4-dioxan-2-one
CAS Name: 1,4-dioxan-2-one
IUPAC NAME: 1,4-dioxan-2-one
SYSTEMATIC NAME: 1,4-dioxan-2-one
MOLECULAR FORMULA: C4H6O3
MOLECULAR WEIGHT: 102.08864
SMILES: C1COC(=O)CO1
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Product OPENEYE NAME: 2-phenylpropanedinitrile
CAS Name: 2-phenylpropanedinitrile
IUPAC NAME: 2-phenylpropanedinitrile
SYSTEMATIC NAME: 2-phenylpropanedinitrile
MOLECULAR FORMULA: C9H6N2
MOLECULAR WEIGHT: 142.15734
SMILES: C1=CC=C(C=C1)C(C#N)C#N
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Product OPENEYE NAME: (1-methylpyrrolidin-1-ium-3-yl) 2-methoxy-2,2-diphenyl-acetate chloride
CAS Name: 2-methoxy-2,2-diphenylacetic acid (1-methyl-3-pyrrolidin-1-iumyl) ester chloride
IUPAC NAME: (1-methylpyrrolidin-1-ium-3-yl) 2-methoxy-2,2-diphenylacetate chloride
SYSTEMATIC NAME: (1-methylpyrrolidin-1-ium-3-yl) 2-methoxy-2,2-diphenyl-ethanoate chloride
MOLECULAR FORMULA: C20H24ClNO3
MOLECULAR WEIGHT: 361.86246
SMILES: C[NH+]1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC.[Cl-]
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Product OPENEYE NAME: (1-methylpyrrolidin-3-yl) 2-methoxy-2,2-diphenyl-acetate
CAS Name: 2-methoxy-2,2-diphenylacetic acid (1-methyl-3-pyrrolidinyl) ester
IUPAC NAME: (1-methylpyrrolidin-3-yl) 2-methoxy-2,2-diphenylacetate
SYSTEMATIC NAME: (1-methylpyrrolidin-3-yl) 2-methoxy-2,2-diphenyl-ethanoate
MOLECULAR FORMULA: C20H23NO3
MOLECULAR WEIGHT: 325.40152
SMILES: CN1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC
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