Saturday, September 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(2-methyl-3-morpholino-phenyl)propan-1-one
CAS Name: 1-[2-methyl-3-(4-morpholinyl)phenyl]-1-propanone
IUPAC NAME: 1-(2-methyl-3-morpholin-4-ylphenyl)propan-1-one
SYSTEMATIC NAME: 1-(2-methyl-3-morpholin-4-yl-phenyl)propan-1-one
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: CCC(=O)C1=C(C(=CC=C1)N2CCOCC2)C
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Product OPENEYE NAME: 1-(4-methyl-3a-pyrrolidin-1-yl-4H-1,3-benzodioxol-5-yl)propan-1-one
CAS Name: 1-[4-methyl-3a-(1-pyrrolidinyl)-4H-1,3-benzodioxol-5-yl]-1-propanone
IUPAC NAME: 1-(4-methyl-3a-pyrrolidin-1-yl-4H-1,3-benzodioxol-5-yl)propan-1-one
SYSTEMATIC NAME: 1-(4-methyl-3a-pyrrolidin-1-yl-4H-1,3-benzodioxol-5-yl)propan-1-one
MOLECULAR FORMULA: C15H21NO3
MOLECULAR WEIGHT: 263.33214
SMILES: CCC(=O)C1=CC=C2C(C1C)(OCO2)N3CCCC3
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Product OPENEYE NAME: 1-[2-methyl-3-(4-methyl-1-piperidyl)-4-propoxy-phenyl]propan-1-one
CAS Name: 1-[2-methyl-3-(4-methyl-1-piperidinyl)-4-propoxyphenyl]-1-propanone
IUPAC NAME: 1-[2-methyl-3-(4-methylpiperidin-1-yl)-4-propoxyphenyl]propan-1-one
SYSTEMATIC NAME: 1-[2-methyl-3-(4-methylpiperidin-1-yl)-4-propoxy-phenyl]propan-1-one
MOLECULAR FORMULA: C19H29NO2
MOLECULAR WEIGHT: 303.43906
SMILES: CCCOC1=C(C(=C(C=C1)C(=O)CC)C)N2CCC(CC2)C
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Product OPENEYE NAME: 1-(4-butyl-2-methyl-3-pyrrolidin-1-yl-phenyl)propan-1-one
CAS Name: 1-[4-butyl-2-methyl-3-(1-pyrrolidinyl)phenyl]-1-propanone
IUPAC NAME: 1-(4-butyl-2-methyl-3-pyrrolidin-1-ylphenyl)propan-1-one
SYSTEMATIC NAME: 1-(4-butyl-2-methyl-3-pyrrolidin-1-yl-phenyl)propan-1-one
MOLECULAR FORMULA: C18H27NO
MOLECULAR WEIGHT: 273.41308
SMILES: CCCCC1=C(C(=C(C=C1)C(=O)CC)C)N2CCCC2
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Product OPENEYE NAME: 1-[3-(azepin-1-yl)-4-fluoro-2-methyl-phenyl]propan-1-one hydrochloride
CAS Name: 1-[3-(1-azepinyl)-4-fluoro-2-methylphenyl]-1-propanone hydrochloride
IUPAC NAME: 1-[3-(azepin-1-yl)-4-fluoro-2-methylphenyl]propan-1-one hydrochloride
SYSTEMATIC NAME: 1-[3-(azepin-1-yl)-4-fluoranyl-2-methyl-phenyl]propan-1-one hydrochloride
MOLECULAR FORMULA: C16H17ClFNO
MOLECULAR WEIGHT: 293.763683
SMILES: CCC(=O)C1=C(C(=C(C=C1)F)N2C=CC=CC=C2)C.Cl
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Product OPENEYE NAME: 1-[4-(fluoromethyl)-2-methyl-3-(4-methyl-1-piperidyl)phenyl]propan-1-one
CAS Name: 1-[4-(fluoromethyl)-2-methyl-3-(4-methyl-1-piperidinyl)phenyl]-1-propanone
IUPAC NAME: 1-[4-(fluoromethyl)-2-methyl-3-(4-methylpiperidin-1-yl)phenyl]propan-1-one
SYSTEMATIC NAME: 1-[4-(fluoranylmethyl)-2-methyl-3-(4-methylpiperidin-1-yl)phenyl]propan-1-one
MOLECULAR FORMULA: C17H24FNO
MOLECULAR WEIGHT: 277.376963
SMILES: CCC(=O)C1=C(C(=C(C=C1)CF)N2CCC(CC2)C)C
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Product OPENEYE NAME: chloro 5-acetamido-4-acetoxy-2-hydroxy-6-(1,2,3-triacetoxypropyl)tetrahydropyran-2-carboxylate
CAS Name: 5-acetamido-4-acetyloxy-2-hydroxy-6-(1,2,3-triacetyloxypropyl)-2-oxanecarboxylic acid chloro ester
IUPAC NAME: chloro 5-acetamido-4-acetyloxy-2-hydroxy-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate
SYSTEMATIC NAME: chloranyl 5-acetamido-4-acetyloxy-2-oxidanyl-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate
MOLECULAR FORMULA: C19H26ClNO13
MOLECULAR WEIGHT: 511.86164
SMILES: CC(=O)NC1C(CC(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OCl)O)OC(=O)C
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Product OPENEYE NAME: 2,4-difluoro-3-methyl-2,3-dihydro-1,4-benzoxazine
CAS Name: 2,4-difluoro-3-methyl-2,3-dihydro-1,4-benzoxazine
IUPAC NAME: 2,4-difluoro-3-methyl-2,3-dihydro-1,4-benzoxazine
SYSTEMATIC NAME: 2,4-bis(fluoranyl)-3-methyl-2,3-dihydro-1,4-benzoxazine
MOLECULAR FORMULA: C9H9F2NO
MOLECULAR WEIGHT: 185.170666
SMILES: CC1C(OC2=CC=CC=C2N1F)F
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Product OPENEYE NAME: [3-(p-tolylsulfonyl)-2H-1,4-benzoxazin-2-yl]-pyrrolidin-2-yl-methanone
CAS Name: [3-(4-methylphenyl)sulfonyl-2H-1,4-benzoxazin-2-yl]-(2-pyrrolidinyl)methanone
IUPAC NAME: [3-(4-methylphenyl)sulfonyl-2H-1,4-benzoxazin-2-yl]-pyrrolidin-2-ylmethanone
SYSTEMATIC NAME: [3-(4-methylphenyl)sulfonyl-2H-1,4-benzoxazin-2-yl]-pyrrolidin-2-yl-methanone
MOLECULAR FORMULA: C20H20N2O4S
MOLECULAR WEIGHT: 384.4488
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=NC3=CC=CC=C3OC2C(=O)C4CCCN4
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Product OPENEYE NAME: isoindolin-1-one dihydrate hydrochloride
CAS Name: 2,3-dihydroisoindol-1-one dihydrate hydrochloride
IUPAC NAME: 2,3-dihydroisoindol-1-one dihydrate hydrochloride
SYSTEMATIC NAME: 2,3-dihydroisoindol-1-one dihydrate hydrochloride
MOLECULAR FORMULA: C8H12ClNO3
MOLECULAR WEIGHT: 205.63878
SMILES: C1C2=CC=CC=C2C(=O)N1.O.O.Cl
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Product OPENEYE NAME: 4-amino-3-[2-[2-(diethylamino)ethyl]-3-oxo-isoindolin-1-yl]benzamide
CAS Name: 4-amino-3-[2-[2-(diethylamino)ethyl]-3-oxo-1H-isoindol-1-yl]benzamide
IUPAC NAME: 4-amino-3-[2-[2-(diethylamino)ethyl]-3-oxo-1H-isoindol-1-yl]benzamide
SYSTEMATIC NAME: 4-azanyl-3-[2-[2-(diethylamino)ethyl]-3-oxidanylidene-1H-isoindol-1-yl]benzamide
MOLECULAR FORMULA: C21H26N4O2
MOLECULAR WEIGHT: 366.45674
SMILES: CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C(=O)N)N
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Product OPENEYE NAME: 3-(4-amino-2,3-dimethyl-phenyl)-2-[2-(diethylamino)ethyl]isoindolin-1-one
CAS Name: 3-(4-amino-2,3-dimethylphenyl)-2-[2-(diethylamino)ethyl]-3H-isoindol-1-one
IUPAC NAME: 3-(4-amino-2,3-dimethylphenyl)-2-[2-(diethylamino)ethyl]-3H-isoindol-1-one
SYSTEMATIC NAME: 3-(4-azanyl-2,3-dimethyl-phenyl)-2-[2-(diethylamino)ethyl]-3H-isoindol-1-one
MOLECULAR FORMULA: C22H29N3O
MOLECULAR WEIGHT: 351.48516
SMILES: CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C(=C(C=C3)N)C)C
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Product OPENEYE NAME: 2-[2-(diethylamino)ethyl]-6-(2,3-dimethylphenyl)isoindolin-1-one
CAS Name: 2-[2-(diethylamino)ethyl]-6-(2,3-dimethylphenyl)-3H-isoindol-1-one
IUPAC NAME: 2-[2-(diethylamino)ethyl]-6-(2,3-dimethylphenyl)-3H-isoindol-1-one
SYSTEMATIC NAME: 2-[2-(diethylamino)ethyl]-6-(2,3-dimethylphenyl)-3H-isoindol-1-one
MOLECULAR FORMULA: C22H28N2O
MOLECULAR WEIGHT: 336.47052
SMILES: CCN(CC)CCN1CC2=C(C1=O)C=C(C=C2)C3=C(C(=CC=C3)C)C
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