3-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]azepan-2-one

Systemtic Name: 3-[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]azepan-2-one Openeye Name: 3-[5-(p-tolyl)tetrazol-2-yl]azepan-2-one CAS Name: 3-[5-(4-methylphenyl)-2-tetrazolyl]-2-azepanone IUPAC Name: 3-[5-(4-methylphenyl)tetrazol-2-yl]azepan-2-one Traditional Name: 3-[5-(p-tolyl)tetrazol-2-yl]azepan-2-one Formula: C14H17N5O MolecularWeight: 271.31768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(N=N2)C3CCCCNC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(N=N2)C3CCCCNC3=O

InChI

InChI=1S/C14H17N5O/c1-10-5-7-11(8-6-10)13-16-18-19(17-13)12-4-2-3-9-15-14(12)20/h5-8,12H,2-4,9H2,1H3,(H,15,20)