1-(3,4-dimethoxyphenyl)-2-[2-(3-oxidanylpropylamino)benzimidazol-1-yl]ethanone hydrobromide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[2-(3-oxidanylpropylamino)benzimidazol-1-yl]ethanone hydrobromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]ethanone hydrobromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-[2-(3-hydroxypropylamino)-1-benzimidazolyl]ethanone hydrobromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]ethanone hydrobromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]ethanone hydrobromide Formula: C20H24BrN3O4 MolecularWeight: 450.32626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCCO)OC.Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2NCCCO)OC.Br

InChI

InChI=1S/C20H23N3O4.BrH/c1-26-18-9-8-14(12-19(18)27-2)17(25)13-23-16-7-4-3-6-15(16)22-20(23)21-10-5-11-24;/h3-4,6-9,12,24H,5,10-11,13H2,1-2H3,(H,21,22);1H