4-[4-[2-iodanyl-4-(phenylmethyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[4-[2-iodanyl-4-(phenylmethyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-[4-(4-benzyl-2-iodo-piperazin-1-yl)phenyl]-1H-1,2,4-triazol-5-one CAS Name: 4-[4-[2-iodo-4-(phenylmethyl)-1-piperazinyl]phenyl]-1H-1,2,4-triazol-5-one IUPAC Name: 4-[4-(4-benzyl-2-iodopiperazin-1-yl)phenyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-[4-(4-benzyl-2-iodo-piperazino)phenyl]-1H-1,2,4-triazol-5-one Formula: C19H20IN5O MolecularWeight: 461.29947

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)I)C3=CC=C(C=C3)N4C=NNC4=O

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC=C2)I)C3=CC=C(C=C3)N4C=NNC4=O

InChI

InChI=1S/C19H20IN5O/c20-18-13-23(12-15-4-2-1-3-5-15)10-11-24(18)16-6-8-17(9-7-16)25-14-21-22-19(25)26/h1-9,14,18H,10-13H2,(H,22,26)