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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-2-[2-(3-oxidanylpropylamino)-1H-benzimidazol-4-yl]ethanone hydrobromide Openeye Name: 1-(3,4-dimethoxyphenyl)-2-[2-(3-hydroxypropylamino)-1H-benzimidazol-4-yl]ethanone hydrobromide CAS Name: 1-(3,4-dimethoxyphenyl)-2-[2-(3-hydroxypropylamino)-1H-benzimidazol-4-yl]ethanone hydrobromide IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-[2-(3-hydroxypropylamino)-1H-benzimidazol-4-yl]ethanone hydrobromide Traditional Name: 1-(3,4-dimethoxyphenyl)-2-[2-(3-hydroxypropylamino)-1H-benzimidazol-4-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)CC2=C3C(=CC=C2)NC(=N3)NCCCO)OC.Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CC2=C3C(=CC=C2)NC(=N3)NCCCO)OC.Br

InChI

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