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

Systemtic Name: [1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-1-methyl-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-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-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-keto-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-1-methyl-ethyl] ester Formula: C36H30N4O4 MolecularWeight: 582.6478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H30N4O4/c1-23-33(35(42)40(39(23)3)28-14-8-5-9-15-28)38-34(41)24(2)44-36(43)30-22-32(37-31-17-11-10-16-29(30)31)27-20-18-26(19-21-27)25-12-6-4-7-13-25/h4-22,24H,1-3H3,(H,38,41)