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

Systemtic Name: 1-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]octan-3-one Openeye Name: 1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]octan-3-one CAS Name: 1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-octanone IUPAC Name: 1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]octan-3-one Traditional Name: 1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]octan-3-one Formula: C21H24N4O MolecularWeight: 348.44146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O/c1-2-3-4-7-18(26)15-12-16-10-13-17(14-11-16)19-8-5-6-9-20(19)21-22-24-25-23-21/h5-6,8-11,13-14H,2-4,7,12,15H2,1H3,(H,22,23,24,25)