4-[[4-[2-(4-methoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-methoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-(4-methoxyphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazino]methyl]benzonitrile Formula: C29H26N4O2 MolecularWeight: 462.54234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H26N4O2/c1-35-24-12-10-23(11-13-24)28-18-26(25-4-2-3-5-27(25)31-28)29(34)33-16-14-32(15-17-33)20-22-8-6-21(19-30)7-9-22/h2-13,18H,14-17,20H2,1H3