2-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-3-one

Systemtic Name: 2-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-3-one Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)phenyl]-1H-1,2,4-triazol-3-one CAS Name: 2-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1H-1,2,4-triazol-3-one IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)phenyl]-1H-1,2,4-triazol-3-one Traditional Name: 2-[4-(4-benzylpiperazino)phenyl]-1H-1,2,4-triazol-3-one Formula: C19H21N5O MolecularWeight: 335.40294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)N4C(=O)N=CN4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)N4C(=O)N=CN4

InChI

InChI=1S/C19H21N5O/c25-19-20-15-21-24(19)18-8-6-17(7-9-18)23-12-10-22(11-13-23)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2,(H,20,21,25)