N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-1H-1,2,4-triazole-5-carboxamide Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NC=NN4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=NC=NN4

InChI

InChI=1S/C20H22N6O/c27-20(19-21-15-22-24-19)23-17-6-8-18(9-7-17)26-12-10-25(11-13-26)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2,(H,23,27)(H,21,22,24)