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

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-(phenylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]triazole-4-carboxamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]triazole-4-carboxamide Traditional Name: 1-benzyl-N-[6-(3-ketopiperazino)-3-pyridyl]triazole-4-carboxamide Formula: C19H19N7O2 MolecularWeight: 377.39986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CN(N=N3)CC4=CC=CC=C4

InChI

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