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

Systemtic Name: 1-(azepan-1-yl)-2-[5-(2-methylphenyl)-1,2,3,4-tetrazol-2-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[5-(o-tolyl)tetrazol-2-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[5-(2-methylphenyl)-2-tetrazolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[5-(o-tolyl)tetrazol-2-yl]ethanone Formula: C16H21N5O MolecularWeight: 299.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(N=N2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(N=N2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C16H21N5O/c1-13-8-4-5-9-14(13)16-17-19-21(18-16)12-15(22)20-10-6-2-3-7-11-20/h4-5,8-9H,2-3,6-7,10-12H2,1H3