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

Systemtic Name: 1-(azepan-1-yl)-2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[2-[(3,4-dimethoxyphenyl)methyl]-1-benzimidazolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-(2-veratrylbenzimidazol-1-yl)ethanone Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3N2CC(=O)N4CCCCCC4)OC

InChI

InChI=1S/C24H29N3O3/c1-29-21-12-11-18(15-22(21)30-2)16-23-25-19-9-5-6-10-20(19)27(23)17-24(28)26-13-7-3-4-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14,16-17H2,1-2H3