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

Systemtic Name: 3-[[4-[8-(3-cyanophenyl)quinolin-2-yl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[8-(3-cyanophenyl)-2-quinolyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[8-(3-cyanophenyl)-2-quinolinyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[8-(3-cyanophenyl)quinolin-2-yl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[8-(3-cyanophenyl)-2-quinolyl]piperazino]methyl]benzonitrile Formula: C28H23N5 MolecularWeight: 429.51572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

InChI

InChI=1S/C28H23N5/c29-18-21-4-1-6-23(16-21)20-32-12-14-33(15-13-32)27-11-10-24-7-3-9-26(28(24)31-27)25-8-2-5-22(17-25)19-30/h1-11,16-17H,12-15,20H2