1-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]hexan-3-one

Systemtic Name: 1-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]hexan-3-one Openeye Name: 1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]hexan-3-one CAS Name: 1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-hexanone IUPAC Name: 1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]hexan-3-one Traditional Name: 1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]hexan-3-one Formula: C19H20N4O MolecularWeight: 320.3883

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)CCC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3

Isomeric SMILES

CCCC(=O)CCC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3

InChI

InChI=1S/C19H20N4O/c1-2-5-16(24)13-10-14-8-11-15(12-9-14)17-6-3-4-7-18(17)19-20-22-23-21-19/h3-4,6-9,11-12H,2,5,10,13H2,1H3,(H,20,21,22,23)