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

Systemtic Name: 2-[[4-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[1-[(3-cyanophenyl)methyl]-4-piperidyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[1-(3-cyanobenzyl)-4-piperidyl]piperazino]methyl]benzonitrile Formula: C25H29N5 MolecularWeight: 399.53126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)CC3=CC=CC=C3C#N)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)CC3=CC=CC=C3C#N)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H29N5/c26-17-21-4-3-5-22(16-21)19-28-10-8-25(9-11-28)30-14-12-29(13-15-30)20-24-7-2-1-6-23(24)18-27/h1-7,16,25H,8-15,19-20H2