1-[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]benzimidazole-5-carboxylate

Systemtic Name: 1-[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]benzimidazole-5-carboxylate Openeye Name: 1-[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]benzimidazole-5-carboxylate CAS Name: 1-[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]-5-benzimidazolecarboxylate IUPAC Name: 1-[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]benzimidazole-5-carboxylate Traditional Name: 1-[3-(4-ethyl-1,4-diazepan-1-yl)phenyl]benzimidazole-5-carboxylate Formula: C21H23N4O2- MolecularWeight: 363.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CC1)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)[O-]

Isomeric SMILES

CCN1CCCN(CC1)C2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C21H24N4O2/c1-2-23-9-4-10-24(12-11-23)17-5-3-6-18(14-17)25-15-22-19-13-16(21(26)27)7-8-20(19)25/h3,5-8,13-15H,2,4,9-12H2,1H3,(H,26,27)/p-1