Thursday, May 9, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [4-(thiophene-2-carbonylamino)phenyl] 2-(5-acetyl-2-methoxy-phenyl)acetate
CAS Name: 2-(5-acetyl-2-methoxyphenyl)acetic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester
IUPAC NAME: [4-(thiophene-2-carbonylamino)phenyl] 2-(5-acetyl-2-methoxyphenyl)acetate
SYSTEMATIC NAME: [4-(thiophen-2-ylcarbonylamino)phenyl] 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate
MOLECULAR FORMULA: C22H19NO5S
MOLECULAR WEIGHT: 409.45496
SMILES: CC(=O)C1=CC(=C(C=C1)OC)CC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3
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Product OPENEYE NAME: N-[4-[[1-(furan-2-carbonyl)-4-piperidyl]amino]-4-oxo-butyl]adamantane-1-carboxamide
CAS Name: N-[4-[[1-[2-furanyl(oxo)methyl]-4-piperidinyl]amino]-4-oxobutyl]-1-adamantanecarboxamide
IUPAC NAME: N-[4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutyl]adamantane-1-carboxamide
SYSTEMATIC NAME: N-[4-[[1-(furan-2-ylcarbonyl)piperidin-4-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide
MOLECULAR FORMULA: C25H35N3O4
MOLECULAR WEIGHT: 441.5631
SMILES: C1CN(CCC1NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=CO5
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Product OPENEYE NAME: [4-(thiophene-2-carbonylamino)phenyl] 2-(o-tolyl)acetate
CAS Name: 2-(2-methylphenyl)acetic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester
IUPAC NAME: [4-(thiophene-2-carbonylamino)phenyl] 2-(2-methylphenyl)acetate
SYSTEMATIC NAME: [4-(thiophen-2-ylcarbonylamino)phenyl] 2-(2-methylphenyl)ethanoate
MOLECULAR FORMULA: C20H17NO3S
MOLECULAR WEIGHT: 351.41888
SMILES: CC1=CC=CC=C1CC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=CS3
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Product OPENEYE NAME: 5-chloro-N-[1-(furan-2-carbonyl)-4-piperidyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CAS Name: 5-chloro-N-[1-[2-furanyl(oxo)methyl]-4-piperidinyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide
IUPAC NAME: 5-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SYSTEMATIC NAME: 5-chloranyl-N-[1-(furan-2-ylcarbonyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
MOLECULAR FORMULA: C19H19ClN2O5
MOLECULAR WEIGHT: 390.81756
SMILES: C1CN(CCC1NC(=O)C2=CC3=C(C(=C2)Cl)OCCO3)C(=O)C4=CC=CO4
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Product OPENEYE NAME: N-[1-(furan-2-carbonyl)-4-piperidyl]-3-[5-(4-methoxyphenyl)-2-furyl]propanamide
CAS Name: N-[1-[2-furanyl(oxo)methyl]-4-piperidinyl]-3-[5-(4-methoxyphenyl)-2-furanyl]propanamide
IUPAC NAME: N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
SYSTEMATIC NAME: N-[1-(furan-2-ylcarbonyl)piperidin-4-yl]-3-[5-(4-methoxyphenyl)furan-2-yl]propanamide
MOLECULAR FORMULA: C24H26N2O5
MOLECULAR WEIGHT: 422.47364
SMILES: COC1=CC=C(C=C1)C2=CC=C(O2)CCC(=O)NC3CCN(CC3)C(=O)C4=CC=CO4
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Product OPENEYE NAME: N-[1-(furan-2-carbonyl)-4-piperidyl]-4-(4-methylsulfanylphenyl)-4-oxo-butanamide
CAS Name: N-[1-[2-furanyl(oxo)methyl]-4-piperidinyl]-4-[4-(methylthio)phenyl]-4-oxobutanamide
IUPAC NAME: N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-(4-methylsulfanylphenyl)-4-oxobutanamide
SYSTEMATIC NAME: N-[1-(furan-2-ylcarbonyl)piperidin-4-yl]-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide
MOLECULAR FORMULA: C21H24N2O4S
MOLECULAR WEIGHT: 400.49126
SMILES: CSC1=CC=C(C=C1)C(=O)CCC(=O)NC2CCN(CC2)C(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[1-(furan-2-carbonyl)-4-piperidyl]-3-(phenoxymethyl)furan-2-carboxamide
CAS Name: N-[1-[2-furanyl(oxo)methyl]-4-piperidinyl]-3-(phenoxymethyl)-2-furancarboxamide
IUPAC NAME: N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(phenoxymethyl)furan-2-carboxamide
SYSTEMATIC NAME: N-[1-(furan-2-ylcarbonyl)piperidin-4-yl]-3-(phenoxymethyl)furan-2-carboxamide
MOLECULAR FORMULA: C22H22N2O5
MOLECULAR WEIGHT: 394.42048
SMILES: C1CN(CCC1NC(=O)C2=C(C=CO2)COC3=CC=CC=C3)C(=O)C4=CC=CO4
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Product OPENEYE NAME: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-4-ureido-benzamide
CAS Name: 4-(carbamoylamino)-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]benzamide
IUPAC NAME: 4-(carbamoylamino)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]benzamide
SYSTEMATIC NAME: 4-(aminocarbonylamino)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]benzamide
MOLECULAR FORMULA: C19H25N6O2+
MOLECULAR WEIGHT: 369.4408
SMILES: C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)NC(=O)N
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Product OPENEYE NAME: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-4-ureido-benzamide
CAS Name: 4-(carbamoylamino)-N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]benzamide
IUPAC NAME: 4-(carbamoylamino)-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]benzamide
SYSTEMATIC NAME: 4-(aminocarbonylamino)-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]benzamide
MOLECULAR FORMULA: C19H24N6O2
MOLECULAR WEIGHT: 368.43286
SMILES: CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)NC(=O)N
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Product OPENEYE NAME: (4R)-7-fluoro-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CAS Name: (4R)-7-fluoro-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
IUPAC NAME: (4R)-7-fluoro-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SYSTEMATIC NAME: (4R)-7-fluoranyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide
MOLECULAR FORMULA: C21H25FN5O2+
MOLECULAR WEIGHT: 398.453903
SMILES: C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)[C@@H]3CC(=O)NC4=C3C=CC(=C4)F
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Product OPENEYE NAME: (4R)-7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CAS Name: (4R)-7-fluoro-N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
IUPAC NAME: (4R)-7-fluoro-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SYSTEMATIC NAME: (4R)-7-fluoranyl-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide
MOLECULAR FORMULA: C21H24FN5O2
MOLECULAR WEIGHT: 397.445963
SMILES: CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)[C@@H]3CC(=O)NC4=C3C=CC(=C4)F
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Product OPENEYE NAME: (4S)-7-fluoro-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CAS Name: (4S)-7-fluoro-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
IUPAC NAME: (4S)-7-fluoro-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SYSTEMATIC NAME: (4S)-7-fluoranyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide
MOLECULAR FORMULA: C21H25FN5O2+
MOLECULAR WEIGHT: 398.453903
SMILES: C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)[C@H]3CC(=O)NC4=C3C=CC(=C4)F
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Product OPENEYE NAME: (4S)-7-fluoro-N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CAS Name: (4S)-7-fluoro-N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
IUPAC NAME: (4S)-7-fluoro-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SYSTEMATIC NAME: (4S)-7-fluoranyl-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxamide
MOLECULAR FORMULA: C21H24FN5O2
MOLECULAR WEIGHT: 397.445963
SMILES: CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)[C@H]3CC(=O)NC4=C3C=CC(=C4)F
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Product OPENEYE NAME: (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
CAS Name: (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-[2-(2-imidazo[1,2-a]pyridinyl)ethyl]propanamide
IUPAC NAME: (2R)-2-[(2,6-dichlorophenyl)sulfonylamino]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
SYSTEMATIC NAME: (2R)-2-[[2,6-bis(chloranyl)phenyl]sulfonylamino]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
MOLECULAR FORMULA: C18H18Cl2N4O3S
MOLECULAR WEIGHT: 441.33152
SMILES: C[C@H](C(=O)NCCC1=CN2C=CC=CC2=N1)NS(=O)(=O)C3=C(C=CC=C3Cl)Cl
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Product OPENEYE NAME: (3S)-1-(2-ethylphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3S)-1-(2-ethylphenyl)-N-[2-(2-imidazo[1,2-a]pyridinyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3S)-1-(2-ethylphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S)-1-(2-ethylphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C22H24N4O2
MOLECULAR WEIGHT: 376.45156
SMILES: CCC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)NCCC3=CN4C=CC=CC4=N3
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Product OPENEYE NAME: (3R)-1-(2-ethylphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: (3R)-1-(2-ethylphenyl)-N-[2-(2-imidazo[1,2-a]pyridinyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: (3R)-1-(2-ethylphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3R)-1-(2-ethylphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C22H24N4O2
MOLECULAR WEIGHT: 376.45156
SMILES: CCC1=CC=CC=C1N2C[C@@H](CC2=O)C(=O)NCCC3=CN4C=CC=CC4=N3
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Product OPENEYE NAME: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-oxo-4-(2-thienyl)butanamide
CAS Name: N-[2-(2-imidazo[1,2-a]pyridinyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
IUPAC NAME: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-oxo-4-thiophen-2-ylbutanamide
SYSTEMATIC NAME: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-oxidanylidene-4-thiophen-2-yl-butanamide
MOLECULAR FORMULA: C17H17N3O2S
MOLECULAR WEIGHT: 327.40078
SMILES: C1=CC2=NC(=CN2C=C1)CCNC(=O)CCC(=O)C3=CC=CS3
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