[8-chloranyl-2-(2-methylphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [8-chloranyl-2-(2-methylphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[8-chloro-2-(o-tolyl)-4-quinolyl]methanone CAS Name: [8-chloro-2-(2-methylphenyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[8-chloro-2-(2-methylphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[8-chloro-2-(o-tolyl)-4-quinolyl]methanone Formula: C28H26ClN3O MolecularWeight: 455.97854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C=CC=C3Cl)C(=C2)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H26ClN3O/c1-20-8-5-6-11-22(20)26-18-24(23-12-7-13-25(29)27(23)30-26)28(33)32-16-14-31(15-17-32)19-21-9-3-2-4-10-21/h2-13,18H,14-17,19H2,1H3