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

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-2-(1,2,4-triazol-1-yl)propanamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-2-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-(1,2,4-triazol-1-yl)propionamide Formula: C14H17N7O2 MolecularWeight: 315.33048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)N3C=NC=N3

Isomeric SMILES

CC(C(=O)NC1=CN=C(C=C1)N2CCNC(=O)C2)N3C=NC=N3

InChI

InChI=1S/C14H17N7O2/c1-10(21-9-15-8-18-21)14(23)19-11-2-3-12(17-6-11)20-5-4-16-13(22)7-20/h2-3,6,8-10H,4-5,7H2,1H3,(H,16,22)(H,19,23)