1-[4-[4-[2-(3-methylphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(3-methylphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[2-(m-tolyl)quinoline-4-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[2-(3-methylphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[2-(3-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[2-(m-tolyl)quinoline-4-carbonyl]piperazino]phenyl]ethanone Formula: C29H27N3O2 MolecularWeight: 449.54358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C29H27N3O2/c1-20-6-5-7-23(18-20)28-19-26(25-8-3-4-9-27(25)30-28)29(34)32-16-14-31(15-17-32)24-12-10-22(11-13-24)21(2)33/h3-13,18-19H,14-17H2,1-2H3