2-[4-(quinolin-3-ylmethyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-(quinolin-3-ylmethyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 2-[4-(3-quinolylmethyl)piperazin-1-yl]benzonitrile CAS Name: 2-[4-(3-quinolinylmethyl)-1-piperazinyl]benzonitrile IUPAC Name: 2-[4-(quinolin-3-ylmethyl)piperazin-1-yl]benzonitrile Traditional Name: 2-[4-(3-quinolylmethyl)piperazino]benzonitrile Formula: C21H20N4 MolecularWeight: 328.4103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3N=C2)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3N=C2)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H20N4/c22-14-19-6-2-4-8-21(19)25-11-9-24(10-12-25)16-17-13-18-5-1-3-7-20(18)23-15-17/h1-8,13,15H,9-12,16H2