4-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(4-pyridylmethyl)piperidine-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[1-(pyridin-4-ylmethyl)-4-piperidinyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(4-pyridylmethyl)isonipecotoyl]piperazino]methyl]benzonitrile Formula: C24H29N5O MolecularWeight: 403.51996

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)CC4=CC=NC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)CC4=CC=NC=C4

InChI

InChI=1S/C24H29N5O/c25-17-20-1-3-21(4-2-20)18-28-13-15-29(16-14-28)24(30)23-7-11-27(12-8-23)19-22-5-9-26-10-6-22/h1-6,9-10,23H,7-8,11-16,18-19H2