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

Systemtic Name: 1-[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]pentan-3-one Openeye Name: 1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pentan-3-one CAS Name: 1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-pentanone IUPAC Name: 1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pentan-3-one Traditional Name: 1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]pentan-3-one Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O/c1-2-15(23)12-9-13-7-10-14(11-8-13)16-5-3-4-6-17(16)18-19-21-22-20-18/h3-8,10-11H,2,9,12H2,1H3,(H,19,20,21,22)