3-[[4-[8-(4-methylphenyl)quinolin-2-yl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[8-(4-methylphenyl)quinolin-2-yl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[8-(p-tolyl)-2-quinolyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[8-(4-methylphenyl)-2-quinolinyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[8-(4-methylphenyl)quinolin-2-yl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[8-(p-tolyl)-2-quinolyl]piperazino]methyl]benzonitrile Formula: C28H26N4 MolecularWeight: 418.53284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC3=C2N=C(C=C3)N4CCN(CC4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC3=C2N=C(C=C3)N4CCN(CC4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C28H26N4/c1-21-8-10-24(11-9-21)26-7-3-6-25-12-13-27(30-28(25)26)32-16-14-31(15-17-32)20-23-5-2-4-22(18-23)19-29/h2-13,18H,14-17,20H2,1H3