[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C29H27N3O3 MolecularWeight: 465.54298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O3/c1-21-27(24-14-8-9-15-25(24)30-28(21)22-10-4-2-5-11-22)29(34)35-20-26(33)32-18-16-31(17-19-32)23-12-6-3-7-13-23/h2-15H,16-20H2,1H3