[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C29H24N4O3 MolecularWeight: 476.52586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H24N4O3/c1-19-28(20(2)33(32-19)22-13-7-4-8-14-22)31-27(34)18-36-29(35)24-17-26(21-11-5-3-6-12-21)30-25-16-10-9-15-23(24)25/h3-17H,18H2,1-2H3,(H,31,34)