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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H24N4O/c1-2-3-5-10-18(26)13-11-16-12-14-19(17-8-6-4-7-9-17)20(15-16)21-22-24-25-23-21/h4,6-9,12,14-15H,2-3,5,10-11,13H2,1H3,(H,22,23,24,25)


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