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

Systemtic Name: 4-[4-[2-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]butan-2-one Openeye Name: 4-[4-(2-benzyltetrazol-5-yl)phenyl]butan-2-one CAS Name: 4-[4-[2-(phenylmethyl)-5-tetrazolyl]phenyl]-2-butanone IUPAC Name: 4-[4-(2-benzyltetrazol-5-yl)phenyl]butan-2-one Traditional Name: 4-[4-(2-benzyltetrazol-5-yl)phenyl]butan-2-one Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)C2=NN(N=N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O/c1-14(23)7-8-15-9-11-17(12-10-15)18-19-21-22(20-18)13-16-5-3-2-4-6-16/h2-6,9-12H,7-8,13H2,1H3