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

Systemtic Name: N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide Openeye Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide CAS Name: N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)-3-pyridinecarboxamide IUPAC Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-2-(1,2,4-triazol-1-yl)nicotinamide Formula: C19H19N7O2 MolecularWeight: 377.39986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7O2/c27-17-11-25(9-8-21-17)15-5-3-14(4-6-15)10-23-19(28)16-2-1-7-22-18(16)26-13-20-12-24-26/h1-7,12-13H,8-11H2,(H,21,27)(H,23,28)