[6-bromanyl-2-(4-methylphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [6-bromanyl-2-(4-methylphenyl)quinolin-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[6-bromo-2-(p-tolyl)-4-quinolyl]methanone CAS Name: [6-bromo-2-(4-methylphenyl)-4-quinolinyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[6-bromo-2-(4-methylphenyl)quinolin-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[6-bromo-2-(p-tolyl)-4-quinolyl]methanone Formula: C28H26BrN3O MolecularWeight: 500.42954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H26BrN3O/c1-20-7-9-22(10-8-20)27-18-25(24-17-23(29)11-12-26(24)30-27)28(33)32-15-13-31(14-16-32)19-21-5-3-2-4-6-21/h2-12,17-18H,13-16,19H2,1H3