N-(cyanomethyl)-1-[5-(4-piperazin-1-ylphenyl)pyridin-3-yl]piperidine-2-carboxamide

Systemtic Name: N-(cyanomethyl)-1-[5-(4-piperazin-1-ylphenyl)pyridin-3-yl]piperidine-2-carboxamide Openeye Name: N-(cyanomethyl)-1-[5-(4-piperazin-1-ylphenyl)-3-pyridyl]piperidine-2-carboxamide CAS Name: N-(cyanomethyl)-1-[5-[4-(1-piperazinyl)phenyl]-3-pyridinyl]-2-piperidinecarboxamide IUPAC Name: N-(cyanomethyl)-1-[5-(4-piperazin-1-ylphenyl)pyridin-3-yl]piperidine-2-carboxamide Traditional Name: N-(cyanomethyl)-1-[5-(4-piperazinophenyl)-3-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=CN=CC(=C2)C3=CC=C(C=C3)N4CCNCC4

Isomeric SMILES

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

InChI

InChI=1S/C23H28N6O/c24-8-9-27-23(30)22-3-1-2-12-29(22)21-15-19(16-26-17-21)18-4-6-20(7-5-18)28-13-10-25-11-14-28/h4-7,15-17,22,25H,1-3,9-14H2,(H,27,30)