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

Systemtic Name: 1-(phenylmethyl)-5-[2-(4-phenylpiperazin-1-yl)ethanoylamino]-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-5-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]triazole-4-carboxamide CAS Name: 5-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]-1-(phenylmethyl)-4-triazolecarboxamide IUPAC Name: 1-benzyl-5-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]triazole-4-carboxamide Traditional Name: 1-benzyl-5-[[2-(4-phenylpiperazino)acetyl]amino]triazole-4-carboxamide Formula: C22H25N7O2 MolecularWeight: 419.4796

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H25N7O2/c23-21(31)20-22(29(26-25-20)15-17-7-3-1-4-8-17)24-19(30)16-27-11-13-28(14-12-27)18-9-5-2-6-10-18/h1-10H,11-16H2,(H2,23,31)(H,24,30)