[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C17H21N5O3/c1-13(16(23)21-10-4-2-3-5-11-21)25-17(24)14-6-8-15(9-7-14)22-12-18-19-20-22/h6-9,12-13H,2-5,10-11H2,1H3