1-(azepan-1-yl)-3-[2-(3,4,5-trimethoxyphenyl)benzimidazol-1-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[2-(3,4,5-trimethoxyphenyl)benzimidazol-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[2-(3,4,5-trimethoxyphenyl)benzimidazol-1-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[2-(3,4,5-trimethoxyphenyl)-1-benzimidazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[2-(3,4,5-trimethoxyphenyl)benzimidazol-1-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[2-(3,4,5-trimethoxyphenyl)benzimidazol-1-yl]propan-1-one Formula: C25H31N3O4 MolecularWeight: 437.53134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O4/c1-30-21-16-18(17-22(31-2)24(21)32-3)25-26-19-10-6-7-11-20(19)28(25)15-12-23(29)27-13-8-4-5-9-14-27/h6-7,10-11,16-17H,4-5,8-9,12-15H2,1-3H3