1-(azepan-1-yl)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-(2-veratrylbenzimidazol-1-yl)propan-1-one Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H31N3O3/c1-30-22-12-11-19(17-23(22)31-2)18-24-26-20-9-5-6-10-21(20)28(24)16-13-25(29)27-14-7-3-4-8-15-27/h5-6,9-12,17H,3-4,7-8,13-16,18H2,1-2H3