[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(benzotriazol-1-yl)ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(benzotriazol-1-yl)ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(benzotriazol-1-yl)acetate CAS Name: 2-(1-benzotriazolyl)acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate Traditional Name: 2-(benzotriazol-1-yl)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H20N4O3/c21-15(19-9-5-1-2-6-10-19)12-23-16(22)11-20-14-8-4-3-7-13(14)17-18-20/h3-4,7-8H,1-2,5-6,9-12H2