1-(5-cyanopyridin-2-yl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-(5-cyanopyridin-2-yl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]piperidine-4-carboxamide Openeye Name: 1-(5-cyano-2-pyridyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]piperidine-4-carboxamide CAS Name: 1-(5-cyano-2-pyridinyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-cyanopyridin-2-yl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]piperidine-4-carboxamide Traditional Name: 1-(5-cyano-2-pyridyl)-N-[6-(3-ketopiperazino)-3-pyridyl]isonipecotamide Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C21H23N7O2/c22-11-15-1-3-18(24-12-15)27-8-5-16(6-9-27)21(30)26-17-2-4-19(25-13-17)28-10-7-23-20(29)14-28/h1-4,12-13,16H,5-10,14H2,(H,23,29)(H,26,30)