4-[4-[2-(phenylcarbonyl)-1,2,3,4-tetrazol-5-yl]phenyl]butan-2-one

Systemtic Name: 4-[4-[2-(phenylcarbonyl)-1,2,3,4-tetrazol-5-yl]phenyl]butan-2-one Openeye Name: 4-[4-(2-benzoyltetrazol-5-yl)phenyl]butan-2-one CAS Name: 4-[4-(2-benzoyl-5-tetrazolyl)phenyl]-2-butanone IUPAC Name: 4-[4-(2-benzoyltetrazol-5-yl)phenyl]butan-2-one Traditional Name: 4-[4-(2-benzoyltetrazol-5-yl)phenyl]butan-2-one Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)C2=NN(N=N2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)C2=NN(N=N2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O2/c1-13(23)7-8-14-9-11-15(12-10-14)17-19-21-22(20-17)18(24)16-5-3-2-4-6-16/h2-6,9-12H,7-8H2,1H3