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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4)OC

InChI

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