N-[[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[1-[3-(azepan-1-yl)-3-oxidanylidene-propyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[1-[3-(azepan-1-yl)-3-oxo-propyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[1-[3-(1-azepanyl)-3-oxopropyl]-2-benzimidazolyl]methyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[1-[3-(azepan-1-yl)-3-keto-propyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxy-benzamide Formula: C27H34N4O5 MolecularWeight: 494.58266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

InChI

InChI=1S/C27H34N4O5/c1-34-22-16-19(17-23(35-2)26(22)36-3)27(33)28-18-24-29-20-10-6-7-11-21(20)31(24)15-12-25(32)30-13-8-4-5-9-14-30/h6-7,10-11,16-17H,4-5,8-9,12-15,18H2,1-3H3,(H,28,33)