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

Systemtic Name: 3-[5-(4-chlorophenyl)-1,2,3,4-tetrazol-2-yl]azepan-2-one Openeye Name: 3-[5-(4-chlorophenyl)tetrazol-2-yl]azepan-2-one CAS Name: 3-[5-(4-chlorophenyl)-2-tetrazolyl]-2-azepanone IUPAC Name: 3-[5-(4-chlorophenyl)tetrazol-2-yl]azepan-2-one Traditional Name: 3-[5-(4-chlorophenyl)tetrazol-2-yl]azepan-2-one Formula: C13H14ClN5O MolecularWeight: 291.73616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N2N=C(N=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N2N=C(N=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H14ClN5O/c14-10-6-4-9(5-7-10)12-16-18-19(17-12)11-3-1-2-8-15-13(11)20/h4-7,11H,1-3,8H2,(H,15,20)