Saturday, May 18, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-(1,2-benzoxazol-3-yl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CAS Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]ethanone
IUPAC NAME: 2-(1,2-benzoxazol-3-yl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
SYSTEMATIC NAME: 2-(1,2-benzoxazol-3-yl)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
MOLECULAR FORMULA: C19H19N7O2
MOLECULAR WEIGHT: 377.39986
SMILES: CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CC4=NOC5=CC=CC=C54
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Product OPENEYE NAME: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione
CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-4-[4-(methylthio)phenyl]butane-1,4-dione
IUPAC NAME: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione
SYSTEMATIC NAME: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-(4-methylsulfanylphenyl)butane-1,4-dione
MOLECULAR FORMULA: C21H24N6O2S
MOLECULAR WEIGHT: 424.51926
SMILES: CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCC(=O)C4=CC=C(C=C4)SC
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Product OPENEYE NAME: 1-(4-fluorophenyl)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione
CAS Name: 1-(4-fluorophenyl)-4-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]butane-1,4-dione
IUPAC NAME: 1-(4-fluorophenyl)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione
SYSTEMATIC NAME: 1-(4-fluorophenyl)-4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione
MOLECULAR FORMULA: C20H21FN6O2
MOLECULAR WEIGHT: 396.418143
SMILES: CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCC(=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: N-[2-(8-quinolyl)ethyl]propanamide
CAS Name: N-[2-(8-quinolinyl)ethyl]propanamide
IUPAC NAME: N-(2-quinolin-8-ylethyl)propanamide
SYSTEMATIC NAME: N-(2-quinolin-8-ylethyl)propanamide
MOLECULAR FORMULA: C14H16N2O
MOLECULAR WEIGHT: 228.28964
SMILES: CCC(=O)NCCC1=CC=CC2=C1N=CC=C2
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Product OPENEYE NAME: 2-chloro-4-nitro-N-[2-(8-quinolyl)ethyl]benzamide
CAS Name: 2-chloro-4-nitro-N-[2-(8-quinolinyl)ethyl]benzamide
IUPAC NAME: 2-chloro-4-nitro-N-(2-quinolin-8-ylethyl)benzamide
SYSTEMATIC NAME: 2-chloranyl-4-nitro-N-(2-quinolin-8-ylethyl)benzamide
MOLECULAR FORMULA: C18H14ClN3O3
MOLECULAR WEIGHT: 355.77506
SMILES: C1=CC2=C(C(=C1)CCNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)N=CC=C2
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Product OPENEYE NAME: 4-(dimethylamino)-N-[2-(8-quinolyl)ethyl]benzamide
CAS Name: 4-(dimethylamino)-N-[2-(8-quinolinyl)ethyl]benzamide
IUPAC NAME: 4-(dimethylamino)-N-(2-quinolin-8-ylethyl)benzamide
SYSTEMATIC NAME: 4-(dimethylamino)-N-(2-quinolin-8-ylethyl)benzamide
MOLECULAR FORMULA: C20H21N3O
MOLECULAR WEIGHT: 319.40024
SMILES: CN(C)C1=CC=C(C=C1)C(=O)NCCC2=CC=CC3=C2N=CC=C3
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Product OPENEYE NAME: 2-(2-pyridyl)-N-[2-(8-quinolyl)ethyl]quinoline-4-carboxamide
CAS Name: 2-(2-pyridinyl)-N-[2-(8-quinolinyl)ethyl]-4-quinolinecarboxamide
IUPAC NAME: 2-pyridin-2-yl-N-(2-quinolin-8-ylethyl)quinoline-4-carboxamide
SYSTEMATIC NAME: 2-pyridin-2-yl-N-(2-quinolin-8-ylethyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C26H20N4O
MOLECULAR WEIGHT: 404.4632
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=N3)C(=O)NCCC4=CC=CC5=C4N=CC=C5
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Product OPENEYE NAME: (1-cyanoindolizin-2-yl)methyl 3-[(2,4-difluorobenzoyl)amino]propanoate
CAS Name: 3-[[(2,4-difluorophenyl)-oxomethyl]amino]propanoic acid (1-cyano-2-indolizinyl)methyl ester
IUPAC NAME: (1-cyanoindolizin-2-yl)methyl 3-[(2,4-difluorobenzoyl)amino]propanoate
SYSTEMATIC NAME: (1-cyanoindolizin-2-yl)methyl 3-[[2,4-bis(fluoranyl)phenyl]carbonylamino]propanoate
MOLECULAR FORMULA: C20H15F2N3O3
MOLECULAR WEIGHT: 383.348206
SMILES: C1=CC2=C(C(=CN2C=C1)COC(=O)CCNC(=O)C3=C(C=C(C=C3)F)F)C#N
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Product OPENEYE NAME: 3-(3-ethyl-2-oxo-benzimidazol-1-yl)-N-[2-(8-quinolyl)ethyl]propanamide
CAS Name: 3-(3-ethyl-2-oxo-1-benzimidazolyl)-N-[2-(8-quinolinyl)ethyl]propanamide
IUPAC NAME: 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-quinolin-8-ylethyl)propanamide
SYSTEMATIC NAME: 3-(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)-N-(2-quinolin-8-ylethyl)propanamide
MOLECULAR FORMULA: C23H24N4O2
MOLECULAR WEIGHT: 388.46226
SMILES: CCN1C2=CC=CC=C2N(C1=O)CCC(=O)NCCC3=CC=CC4=C3N=CC=C4
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Product OPENEYE NAME: [2-(8-quinolyl)ethylamino]-(2-thioxo-3-pyridylidene)methanolate
CAS Name: [2-(8-quinolinyl)ethylamino]-(2-sulfanylidene-3-pyridinylidene)methanolate
IUPAC NAME: (2-quinolin-8-ylethylamino)-(2-sulfanylidenepyridin-3-ylidene)methanolate
SYSTEMATIC NAME: (2-quinolin-8-ylethylamino)-(2-sulfanylidenepyridin-3-ylidene)methanolate
MOLECULAR FORMULA: C17H14N3OS-
MOLECULAR WEIGHT: 308.37756
SMILES: C1=CC2=C(C(=C1)CCNC(=C3C=CC=NC3=S)[O-])N=CC=C2
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Product OPENEYE NAME: 1-[4-(4-methoxybenzoyl)-1-piperidyl]-3-(1,2,4-triazol-1-yl)propan-1-one
CAS Name: 1-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperidinyl]-3-(1,2,4-triazol-1-yl)-1-propanone
IUPAC NAME: 1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SYSTEMATIC NAME: 1-[4-(4-methoxyphenyl)carbonylpiperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
MOLECULAR FORMULA: C18H22N4O3
MOLECULAR WEIGHT: 342.39228
SMILES: COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)CCN3C=NC=N3
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Product OPENEYE NAME: [1-(7-chloro-3-methyl-benzofuran-2-carbonyl)-4-piperidyl]-(4-hydroxyphenyl)methanone
CAS Name: [1-[(7-chloro-3-methyl-2-benzofuranyl)-oxomethyl]-4-piperidinyl]-(4-hydroxyphenyl)methanone
IUPAC NAME: [1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
SYSTEMATIC NAME: [1-[(7-chloranyl-3-methyl-1-benzofuran-2-yl)carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
MOLECULAR FORMULA: C22H20ClNO4
MOLECULAR WEIGHT: 397.8515
SMILES: CC1=C(OC2=C1C=CC=C2Cl)C(=O)N3CCC(CC3)C(=O)C4=CC=C(C=C4)O
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Product OPENEYE NAME: [1-(2,3-dimethyl-1H-indole-5-carbonyl)-4-piperidyl]-(4-hydroxyphenyl)methanone
CAS Name: [1-[(2,3-dimethyl-1H-indol-5-yl)-oxomethyl]-4-piperidinyl]-(4-hydroxyphenyl)methanone
IUPAC NAME: [1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
SYSTEMATIC NAME: [1-[(2,3-dimethyl-1H-indol-5-yl)carbonyl]piperidin-4-yl]-(4-hydroxyphenyl)methanone
MOLECULAR FORMULA: C23H24N2O3
MOLECULAR WEIGHT: 376.44826
SMILES: CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCC(CC3)C(=O)C4=CC=C(C=C4)O)C
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Product OPENEYE NAME: [1-(5-ethyl-4-methyl-thiophene-2-carbonyl)-4-piperidyl]-(4-hydroxyphenyl)methanone
CAS Name: [1-[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]-4-piperidinyl]-(4-hydroxyphenyl)methanone
IUPAC NAME: [1-(5-ethyl-4-methylthiophene-2-carbonyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
SYSTEMATIC NAME: [1-(5-ethyl-4-methyl-thiophen-2-yl)carbonylpiperidin-4-yl]-(4-hydroxyphenyl)methanone
MOLECULAR FORMULA: C20H23NO3S
MOLECULAR WEIGHT: 357.46652
SMILES: CCC1=C(C=C(S1)C(=O)N2CCC(CC2)C(=O)C3=CC=C(C=C3)O)C
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