Monday, January 23, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-butyl]-2-thioxo-1H-quinazolin-4-one
CAS Name: 3-[4-[4-(3-chlorophenyl)-1-piperazinyl]-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one
IUPAC NAME: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl]-2-sulfanylidene-1H-quinazolin-4-one
SYSTEMATIC NAME: 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxidanylidene-butyl]-2-sulfanylidene-1H-quinazolin-4-one
MOLECULAR FORMULA: C22H23ClN4O2S
MOLECULAR WEIGHT: 442.96162
SMILES: C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S
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Product OPENEYE NAME: N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide
CAS Name: N-[2-(1-cyclohexenyl)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
IUPAC NAME: N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
SYSTEMATIC NAME: N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide
MOLECULAR FORMULA: C25H27N3O3S
MOLECULAR WEIGHT: 449.56518
SMILES: COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CCCCC4)NC2=S
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Product OPENEYE NAME: 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxamide
CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-furanylmethyl)-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C20H24N2O5
MOLECULAR WEIGHT: 372.41496
SMILES: COC1=C(C=C(C=C1)CCN2CC(CC2=O)C(=O)NCC3=CC=CO3)OC
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Product OPENEYE NAME: N-[(2-methoxyphenyl)methyl]-5-oxo-1-[2-(p-tolyl)ethyl]pyrrolidine-3-carboxamide
CAS Name: N-[(2-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
IUPAC NAME: N-[(2-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SYSTEMATIC NAME: N-[(2-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C22H26N2O3
MOLECULAR WEIGHT: 366.45344
SMILES: CC1=CC=C(C=C1)CCN2CC(CC2=O)C(=O)NCC3=CC=CC=C3OC
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Product OPENEYE NAME: butyl-methyl-[2-[3-[6-oxo-3-(p-tolyl)pyridazin-1-yl]propanoylamino]ethyl]ammonium
CAS Name: butyl-methyl-[2-[[3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-1-oxopropyl]amino]ethyl]ammonium
IUPAC NAME: butyl-methyl-[2-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanoylamino]ethyl]azanium
SYSTEMATIC NAME: butyl-methyl-[2-[3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propanoylamino]ethyl]azanium
MOLECULAR FORMULA: C21H31N4O2+
MOLECULAR WEIGHT: 371.49644
SMILES: CCCC[NH+](C)CCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)C
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Product OPENEYE NAME: N-[2-[butyl(methyl)amino]ethyl]-3-[6-oxo-3-(p-tolyl)pyridazin-1-yl]propanamide
CAS Name: N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]propanamide
IUPAC NAME: N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
SYSTEMATIC NAME: N-[2-[butyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propanamide
MOLECULAR FORMULA: C21H30N4O2
MOLECULAR WEIGHT: 370.4885
SMILES: CCCCN(C)CCNC(=O)CCN1C(=O)C=CC(=N1)C2=CC=C(C=C2)C
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Product OPENEYE NAME: benzyl-methyl-[2-[3-[6-oxo-3-(p-tolyl)pyridazin-1-yl]propanoylamino]ethyl]ammonium
CAS Name: methyl-[2-[[3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-1-oxopropyl]amino]ethyl]-(phenylmethyl)ammonium
IUPAC NAME: benzyl-methyl-[2-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanoylamino]ethyl]azanium
SYSTEMATIC NAME: methyl-[2-[3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propanoylamino]ethyl]-(phenylmethyl)azanium
MOLECULAR FORMULA: C24H29N4O2+
MOLECULAR WEIGHT: 405.51266
SMILES: CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)NCC[NH+](C)CC3=CC=CC=C3
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Product OPENEYE NAME: N-[2-[benzyl(methyl)amino]ethyl]-3-[6-oxo-3-(p-tolyl)pyridazin-1-yl]propanamide
CAS Name: N-[2-[methyl-(phenylmethyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]propanamide
IUPAC NAME: N-[2-[benzyl(methyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
SYSTEMATIC NAME: N-[2-[methyl-(phenylmethyl)amino]ethyl]-3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]propanamide
MOLECULAR FORMULA: C24H28N4O2
MOLECULAR WEIGHT: 404.50472
SMILES: CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)NCCN(C)CC3=CC=CC=C3
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Product OPENEYE NAME: N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-3-[6-oxo-3-(p-tolyl)pyridazin-1-yl]propanamide
CAS Name: 3-[3-(4-methylphenyl)-6-oxo-1-pyridazinyl]-N-[2-(2-methyl-1-piperidin-1-iumyl)ethyl]propanamide
IUPAC NAME: 3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]propanamide
SYSTEMATIC NAME: 3-[3-(4-methylphenyl)-6-oxidanylidene-pyridazin-1-yl]-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]propanamide
MOLECULAR FORMULA: C22H31N4O2+
MOLECULAR WEIGHT: 383.50714
SMILES: CC1CCCC[NH+]1CCNC(=O)CCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)C
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Product OPENEYE NAME: 2-(4-ethylphenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide
CAS Name: 2-[(4-ethylphenyl)thio]-N-(1-phenylethyl)-4-quinolinecarboxamide
IUPAC NAME: 2-(4-ethylphenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(4-ethylphenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide
MOLECULAR FORMULA: C26H24N2OS
MOLECULAR WEIGHT: 412.54656
SMILES: CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC(C)C4=CC=CC=C4
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Product OPENEYE NAME: N-[(1-methyl-3-phenyl-prop-2-enylidene)amino]-2-(4-phenylphenoxy)acetamide
CAS Name: N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylphenoxy)acetamide
IUPAC NAME: N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylphenoxy)acetamide
SYSTEMATIC NAME: N-(4-phenylbut-3-en-2-ylideneamino)-2-(4-phenylphenoxy)ethanamide
MOLECULAR FORMULA: C24H22N2O2
MOLECULAR WEIGHT: 370.44368
SMILES: CC(=NNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2)C=CC3=CC=CC=C3
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Product OPENEYE NAME: [4-[[[2-(4-butoxyphenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] benzoate
CAS Name: benzoic acid [4-[[[2-(4-butoxyphenoxy)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester
IUPAC NAME: [4-[[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
SYSTEMATIC NAME: [4-[[2-(4-butoxyphenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] benzoate
MOLECULAR FORMULA: C27H28N2O6
MOLECULAR WEIGHT: 476.52102
SMILES: CCCCOC1=CC=C(C=C1)OCC(=O)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC
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Product OPENEYE NAME: [2-methoxy-4-[[(4-nitrobenzoyl)hydrazono]methyl]phenyl] benzoate
CAS Name: benzoic acid [2-methoxy-4-[[[(4-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [2-methoxy-4-[[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
SYSTEMATIC NAME: [2-methoxy-4-[[(4-nitrophenyl)carbonylhydrazinylidene]methyl]phenyl] benzoate
MOLECULAR FORMULA: C22H17N3O6
MOLECULAR WEIGHT: 419.38688
SMILES: COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3
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