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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(benzimidazol-1-yl)ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(benzimidazol-1-yl)acetate CAS Name: 2-(1-benzimidazolyl)acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate Traditional Name: 2-(benzimidazol-1-yl)acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CN2C=NC3=CC=CC=C32

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CN2C=NC3=CC=CC=C32

InChI

InChI=1S/C17H21N3O3/c21-16(19-9-5-1-2-6-10-19)12-23-17(22)11-20-13-18-14-7-3-4-8-15(14)20/h3-4,7-8,13H,1-2,5-6,9-12H2