(6-bromanyl-2-phenyl-quinolin-4-yl)-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone

Systemtic Name: (6-bromanyl-2-phenyl-quinolin-4-yl)-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone Openeye Name: (6-bromo-2-phenyl-4-quinolyl)-[3-methyl-4-(p-tolyl)piperazin-1-yl]methanone CAS Name: (6-bromo-2-phenyl-4-quinolinyl)-[3-methyl-4-(4-methylphenyl)-1-piperazinyl]methanone IUPAC Name: (6-bromo-2-phenylquinolin-4-yl)-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone Traditional Name: (6-bromo-2-phenyl-4-quinolyl)-[3-methyl-4-(p-tolyl)piperazino]methanone Formula: C28H26BrN3O MolecularWeight: 500.42954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C28H26BrN3O/c1-19-8-11-23(12-9-19)32-15-14-31(18-20(32)2)28(33)25-17-27(21-6-4-3-5-7-21)30-26-13-10-22(29)16-24(25)26/h3-13,16-17,20H,14-15,18H2,1-2H3