N-(cyanomethyl)-1-[6-(4-piperazin-1-ylphenyl)pyridin-2-yl]piperidine-2-carboxamide

Systemtic Name: N-(cyanomethyl)-1-[6-(4-piperazin-1-ylphenyl)pyridin-2-yl]piperidine-2-carboxamide Openeye Name: N-(cyanomethyl)-1-[6-(4-piperazin-1-ylphenyl)-2-pyridyl]piperidine-2-carboxamide CAS Name: N-(cyanomethyl)-1-[6-[4-(1-piperazinyl)phenyl]-2-pyridinyl]-2-piperidinecarboxamide IUPAC Name: N-(cyanomethyl)-1-[6-(4-piperazin-1-ylphenyl)pyridin-2-yl]piperidine-2-carboxamide Traditional Name: N-(cyanomethyl)-1-[6-(4-piperazinophenyl)-2-pyridyl]pipecolinamide Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NCC#N)C2=CC=CC(=N2)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

C1CCN(C(C1)C(=O)NCC#N)C2=CC=CC(=N2)C3=CC=C(C=C3)N4CCNCC4

InChI

InChI=1S/C23H28N6O/c24-11-12-26-23(30)21-5-1-2-15-29(21)22-6-3-4-20(27-22)18-7-9-19(10-8-18)28-16-13-25-14-17-28/h3-4,6-10,21,25H,1-2,5,12-17H2,(H,26,30)