[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Openeye Name: [4-(o-tolylmethyl)piperazin-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazinyl]-[2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: [4-(2-methylbenzyl)piperazino]-[2-(3-pyridyl)-4-quinolyl]methanone Formula: C27H26N4O MolecularWeight: 422.52154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C27H26N4O/c1-20-7-2-3-8-22(20)19-30-13-15-31(16-14-30)27(32)24-17-26(21-9-6-12-28-18-21)29-25-11-5-4-10-23(24)25/h2-12,17-18H,13-16,19H2,1H3