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

Systemtic Name: 1-(azepan-1-yl)-2-[5-(phenoxymethyl)-1,2,3,4-tetrazol-2-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[5-(phenoxymethyl)-2-tetrazolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]ethanone Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2N=C(N=N2)COC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2N=C(N=N2)COC3=CC=CC=C3

InChI

InChI=1S/C16H21N5O2/c22-16(20-10-6-1-2-7-11-20)12-21-18-15(17-19-21)13-23-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2