1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-(azocan-1-yl)-2-oxo-ethyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[2-(1-azocanyl)-2-oxoethyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[2-(azocan-1-yl)-2-oxoethyl]-4-phenyltetrazol-5-one Traditional Name: 1-[2-(azocan-1-yl)-2-keto-ethyl]-4-phenyl-tetrazol-5-one Formula: C16H21N5O2 MolecularWeight: 315.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CN2C(=O)N(N=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CCC1)C(=O)CN2C(=O)N(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H21N5O2/c22-15(19-11-7-2-1-3-8-12-19)13-20-16(23)21(18-17-20)14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2