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

Systemtic Name: (6-bromanyl-2-phenyl-quinolin-4-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (6-bromo-2-phenyl-4-quinolyl)-[4-(p-tolylmethyl)piperazin-1-yl]methanone CAS Name: (6-bromo-2-phenyl-4-quinolinyl)-[4-[(4-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (6-bromo-2-phenylquinolin-4-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (6-bromo-2-phenyl-4-quinolyl)-[4-(4-methylbenzyl)piperazino]methanone Formula: C28H26BrN3O MolecularWeight: 500.42954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

InChI

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