N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)-4-pyridinecarboxamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-(1,2,4-triazol-1-yl)isonicotinamide Formula: C17H16N8O2 MolecularWeight: 364.36134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC(=NC=C3)N4C=NC=N4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CC(=NC=C3)N4C=NC=N4

InChI

InChI=1S/C17H16N8O2/c26-16-9-24(6-5-20-16)14-2-1-13(8-21-14)23-17(27)12-3-4-19-15(7-12)25-11-18-10-22-25/h1-4,7-8,10-11H,5-6,9H2,(H,20,26)(H,23,27)