[1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl] ester Formula: C31H28N4O4 MolecularWeight: 520.57842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC(C)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C31H28N4O4/c1-19-14-16-22(17-15-19)27-18-25(24-12-8-9-13-26(24)32-27)31(38)39-21(3)29(36)33-28-20(2)34(4)35(30(28)37)23-10-6-5-7-11-23/h5-18,21H,1-4H3,(H,33,36)