1-(phenylmethyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(phenylmethyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethanoylamino]-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-5-[[2-[4-(2-pyridyl)piperazin-1-yl]acetyl]amino]triazole-4-carboxamide CAS Name: 5-[[1-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]amino]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-5-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]triazole-4-carboxamide Traditional Name: 1-benzyl-5-[[2-[4-(2-pyridyl)piperazino]acetyl]amino]triazole-4-carboxamide Formula: C21H24N8O2 MolecularWeight: 420.46766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=C(N=NN2CC3=CC=CC=C3)C(=O)N)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=C(N=NN2CC3=CC=CC=C3)C(=O)N)C4=CC=CC=N4

InChI

InChI=1S/C21H24N8O2/c22-20(31)19-21(29(26-25-19)14-16-6-2-1-3-7-16)24-18(30)15-27-10-12-28(13-11-27)17-8-4-5-9-23-17/h1-9H,10-15H2,(H2,22,31)(H,24,30)