N-(cyanomethyl)-1-[3-(3-piperazin-1-ylphenyl)phenyl]piperidine-2-carboxamide

Systemtic Name: N-(cyanomethyl)-1-[3-(3-piperazin-1-ylphenyl)phenyl]piperidine-2-carboxamide Openeye Name: N-(cyanomethyl)-1-[3-(3-piperazin-1-ylphenyl)phenyl]piperidine-2-carboxamide CAS Name: N-(cyanomethyl)-1-[3-[3-(1-piperazinyl)phenyl]phenyl]-2-piperidinecarboxamide IUPAC Name: N-(cyanomethyl)-1-[3-(3-piperazin-1-ylphenyl)phenyl]piperidine-2-carboxamide Traditional Name: N-(cyanomethyl)-1-[3-(3-piperazinophenyl)phenyl]pipecolinamide Formula: C24H29N5O MolecularWeight: 403.51996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NCC#N)C2=CC=CC(=C2)C3=CC(=CC=C3)N4CCNCC4

Isomeric SMILES

C1CCN(C(C1)C(=O)NCC#N)C2=CC=CC(=C2)C3=CC(=CC=C3)N4CCNCC4

InChI

InChI=1S/C24H29N5O/c25-10-11-27-24(30)23-9-1-2-14-29(23)22-8-4-6-20(18-22)19-5-3-7-21(17-19)28-15-12-26-13-16-28/h3-8,17-18,23,26H,1-2,9,11-16H2,(H,27,30)