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

Systemtic Name: 1-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]heptan-3-one Openeye Name: 1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]heptan-3-one CAS Name: 1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-heptanone IUPAC Name: 1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]heptan-3-one Traditional Name: 1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]heptan-3-one Formula: C20H22N4O MolecularWeight: 334.41488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)CCC1=CC(=C(C=C1)C2=CC=CC=C2)C3=NNN=N3

Isomeric SMILES

CCCCC(=O)CCC1=CC(=C(C=C1)C2=CC=CC=C2)C3=NNN=N3

InChI

InChI=1S/C20H22N4O/c1-2-3-9-17(25)12-10-15-11-13-18(16-7-5-4-6-8-16)19(14-15)20-21-23-24-22-20/h4-8,11,13-14H,2-3,9-10,12H2,1H3,(H,21,22,23,24)