[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3H-benzimidazole-5-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C16H19N3O3/c20-15(19-7-3-1-2-4-8-19)10-22-16(21)12-5-6-13-14(9-12)18-11-17-13/h5-6,9,11H,1-4,7-8,10H2,(H,17,18)