Tuesday, January 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[benzyl(2-furylmethyl)amino]-N-carbamoyl-acetamide
CAS Name: N-carbamoyl-2-[2-furanylmethyl-(phenylmethyl)amino]acetamide
IUPAC NAME: 2-[benzyl(furan-2-ylmethyl)amino]-N-carbamoylacetamide
SYSTEMATIC NAME: N-aminocarbonyl-2-[furan-2-ylmethyl-(phenylmethyl)amino]ethanamide
MOLECULAR FORMULA: C15H17N3O3
MOLECULAR WEIGHT: 287.31378
SMILES: C1=CC=C(C=C1)CN(CC2=CC=CO2)CC(=O)NC(=O)N
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Product OPENEYE NAME: 1-(azepan-1-yl)-2-(4-hydroxy-1-piperidyl)ethanone
CAS Name: 1-(1-azepanyl)-2-(4-hydroxy-1-piperidinyl)ethanone
IUPAC NAME: 1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
SYSTEMATIC NAME: 1-(azepan-1-yl)-2-(4-oxidanylpiperidin-1-yl)ethanone
MOLECULAR FORMULA: C13H24N2O2
MOLECULAR WEIGHT: 240.34186
SMILES: C1CCCN(CC1)C(=O)CN2CCC(CC2)O
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Product OPENEYE NAME: N-(2-cyanoethyl)-2-(4-hydroxy-1-piperidyl)-N-phenyl-acetamide
CAS Name: N-(2-cyanoethyl)-2-(4-hydroxy-1-piperidinyl)-N-phenylacetamide
IUPAC NAME: N-(2-cyanoethyl)-2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
SYSTEMATIC NAME: N-(2-cyanoethyl)-2-(4-oxidanylpiperidin-1-yl)-N-phenyl-ethanamide
MOLECULAR FORMULA: C16H21N3O2
MOLECULAR WEIGHT: 287.35684
SMILES: C1CN(CCC1O)CC(=O)N(CCC#N)C2=CC=CC=C2
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Product OPENEYE NAME: 1-[2-(2-fluorophenoxy)ethyl]piperidin-4-ol
CAS Name: 1-[2-(2-fluorophenoxy)ethyl]-4-piperidinol
IUPAC NAME: 1-[2-(2-fluorophenoxy)ethyl]piperidin-4-ol
SYSTEMATIC NAME: 1-[2-(2-fluoranylphenoxy)ethyl]piperidin-4-ol
MOLECULAR FORMULA: C13H18FNO2
MOLECULAR WEIGHT: 239.285923
SMILES: C1CN(CCC1O)CCOC2=CC=CC=C2F
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Product OPENEYE NAME: N,N-diallyl-2-(4-hydroxy-1-piperidyl)acetamide
CAS Name: 2-(4-hydroxy-1-piperidinyl)-N,N-bis(prop-2-enyl)acetamide
IUPAC NAME: 2-(4-hydroxypiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
SYSTEMATIC NAME: 2-(4-oxidanylpiperidin-1-yl)-N,N-bis(prop-2-enyl)ethanamide
MOLECULAR FORMULA: C13H22N2O2
MOLECULAR WEIGHT: 238.32598
SMILES: C=CCN(CC=C)C(=O)CN1CCC(CC1)O
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Product OPENEYE NAME: 1-[2-(4-methylphenoxy)ethyl]piperidin-4-ol
CAS Name: 1-[2-(4-methylphenoxy)ethyl]-4-piperidinol
IUPAC NAME: 1-[2-(4-methylphenoxy)ethyl]piperidin-4-ol
SYSTEMATIC NAME: 1-[2-(4-methylphenoxy)ethyl]piperidin-4-ol
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CC1=CC=C(C=C1)OCCN2CCC(CC2)O
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Product OPENEYE NAME: 1-[(4-tert-butylphenyl)methyl]piperidin-4-ol
CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-piperidinol
IUPAC NAME: 1-[(4-tert-butylphenyl)methyl]piperidin-4-ol
SYSTEMATIC NAME: 1-[(4-tert-butylphenyl)methyl]piperidin-4-ol
MOLECULAR FORMULA: C16H25NO
MOLECULAR WEIGHT: 247.3758
SMILES: CC(C)(C)C1=CC=C(C=C1)CN2CCC(CC2)O
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Product OPENEYE NAME: 1-[(4-bromo-2-fluoro-phenyl)methyl]piperidin-4-ol
CAS Name: 1-[(4-bromo-2-fluorophenyl)methyl]-4-piperidinol
IUPAC NAME: 1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-ol
SYSTEMATIC NAME: 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperidin-4-ol
MOLECULAR FORMULA: C12H15BrFNO
MOLECULAR WEIGHT: 288.156003
SMILES: C1CN(CCC1O)CC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: ethyl 2-[(2-carbamoylphenoxy)methyl]furan-3-carboxylate
CAS Name: 2-[(2-carbamoylphenoxy)methyl]-3-furancarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[(2-carbamoylphenoxy)methyl]furan-3-carboxylate
SYSTEMATIC NAME: ethyl 2-[(2-aminocarbonylphenoxy)methyl]furan-3-carboxylate
MOLECULAR FORMULA: C15H15NO5
MOLECULAR WEIGHT: 289.2833
SMILES: CCOC(=O)C1=C(OC=C1)COC2=CC=CC=C2C(=O)N
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Product OPENEYE NAME: 7-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
CAS Name: 7-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
IUPAC NAME: 7-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
SYSTEMATIC NAME: 7-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
MOLECULAR FORMULA: C16H19N3O4S
MOLECULAR WEIGHT: 349.40476
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)CN2C(=O)C3(CCSC3)NC2=O
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Product OPENEYE NAME: 7-(2-isopropoxyethyl)-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
CAS Name: 7-(2-propan-2-yloxyethyl)-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
IUPAC NAME: 7-(2-propan-2-yloxyethyl)-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
SYSTEMATIC NAME: 7-(2-propan-2-yloxyethyl)-3-thia-7,9-diazaspiro[4.4]nonane-6,8-dione
MOLECULAR FORMULA: C11H18N2O3S
MOLECULAR WEIGHT: 258.33722
SMILES: CC(C)OCCN1C(=O)C2(CCSC2)NC1=O
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Product OPENEYE NAME: [4-(2-ethylpiperidine-1-carbonyl)phenyl]urea
CAS Name: [4-[(2-ethyl-1-piperidinyl)-oxomethyl]phenyl]urea
IUPAC NAME: [4-(2-ethylpiperidine-1-carbonyl)phenyl]urea
SYSTEMATIC NAME: 1-[4-(2-ethylpiperidin-1-yl)carbonylphenyl]urea
MOLECULAR FORMULA: C15H21N3O2
MOLECULAR WEIGHT: 275.34614
SMILES: CCC1CCCCN1C(=O)C2=CC=C(C=C2)NC(=O)N
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Product OPENEYE NAME: N-cyclohexyl-N-methyl-4-ureido-benzamide
CAS Name: 4-(carbamoylamino)-N-cyclohexyl-N-methylbenzamide
IUPAC NAME: 4-(carbamoylamino)-N-cyclohexyl-N-methylbenzamide
SYSTEMATIC NAME: 4-(aminocarbonylamino)-N-cyclohexyl-N-methyl-benzamide
MOLECULAR FORMULA: C15H21N3O2
MOLECULAR WEIGHT: 275.34614
SMILES: CN(C1CCCCC1)C(=O)C2=CC=C(C=C2)NC(=O)N
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Product OPENEYE NAME: 2-cyclopentylsulfanyl-1-(1H-pyrrol-2-yl)ethanone
CAS Name: 2-(cyclopentylthio)-1-(1H-pyrrol-2-yl)ethanone
IUPAC NAME: 2-cyclopentylsulfanyl-1-(1H-pyrrol-2-yl)ethanone
SYSTEMATIC NAME: 2-cyclopentylsulfanyl-1-(1H-pyrrol-2-yl)ethanone
MOLECULAR FORMULA: C11H15NOS
MOLECULAR WEIGHT: 209.3079
SMILES: C1CCC(C1)SCC(=O)C2=CC=CN2
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Product OPENEYE NAME: N-methyl-N-[(5-methyl-2-furyl)methyl]-4-ureido-benzamide
CAS Name: 4-(carbamoylamino)-N-methyl-N-[(5-methyl-2-furanyl)methyl]benzamide
IUPAC NAME: 4-(carbamoylamino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SYSTEMATIC NAME: 4-(aminocarbonylamino)-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
MOLECULAR FORMULA: C15H17N3O3
MOLECULAR WEIGHT: 287.31378
SMILES: CC1=CC=C(O1)CN(C)C(=O)C2=CC=C(C=C2)NC(=O)N
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Product OPENEYE NAME: (5-ethyl-4-methyl-2-thienyl)-morpholino-methanone
CAS Name: (5-ethyl-4-methyl-2-thiophenyl)-(4-morpholinyl)methanone
IUPAC NAME: (5-ethyl-4-methylthiophen-2-yl)-morpholin-4-ylmethanone
SYSTEMATIC NAME: (5-ethyl-4-methyl-thiophen-2-yl)-morpholin-4-yl-methanone
MOLECULAR FORMULA: C12H17NO2S
MOLECULAR WEIGHT: 239.33388
SMILES: CCC1=C(C=C(S1)C(=O)N2CCOCC2)C
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Product OPENEYE NAME: methyl 4-[(3,5-dimethylisoxazole-4-carbonyl)amino]butanoate
CAS Name: 4-[[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]amino]butanoic acid methyl ester
IUPAC NAME: methyl 4-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]butanoate
SYSTEMATIC NAME: methyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonylamino]butanoate
MOLECULAR FORMULA: C11H16N2O4
MOLECULAR WEIGHT: 240.25574
SMILES: CC1=C(C(=NO1)C)C(=O)NCCCC(=O)OC
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Product OPENEYE NAME: N-tert-butyl-4-(methylsulfanylmethyl)benzamide
CAS Name: N-tert-butyl-4-[(methylthio)methyl]benzamide
IUPAC NAME: N-tert-butyl-4-(methylsulfanylmethyl)benzamide
SYSTEMATIC NAME: N-tert-butyl-4-(methylsulfanylmethyl)benzamide
MOLECULAR FORMULA: C13H19NOS
MOLECULAR WEIGHT: 237.36106
SMILES: CC(C)(C)NC(=O)C1=CC=C(C=C1)CSC
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