N-(2-oxidanylideneazepan-3-yl)-2-[5-(phenoxymethyl)-1,2,3,4-tetrazol-2-yl]ethanamide

Systemtic Name: N-(2-oxidanylideneazepan-3-yl)-2-[5-(phenoxymethyl)-1,2,3,4-tetrazol-2-yl]ethanamide Openeye Name: N-(2-oxoazepan-3-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide CAS Name: N-(2-oxo-3-azepanyl)-2-[5-(phenoxymethyl)-2-tetrazolyl]acetamide IUPAC Name: N-(2-oxoazepan-3-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide Traditional Name: N-(2-ketoazepan-3-yl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CN2N=C(N=N2)COC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)CN2N=C(N=N2)COC3=CC=CC=C3

InChI

InChI=1S/C16H20N6O3/c23-15(18-13-8-4-5-9-17-16(13)24)10-22-20-14(19-21-22)11-25-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,24)(H,18,23)