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

Systemtic Name: 1-(4-heptylphenyl)-2-[2-(3-oxidanylpropylamino)-1H-benzimidazol-4-yl]ethanone hydrobromide Openeye Name: 1-(4-heptylphenyl)-2-[2-(3-hydroxypropylamino)-1H-benzimidazol-4-yl]ethanone hydrobromide CAS Name: 1-(4-heptylphenyl)-2-[2-(3-hydroxypropylamino)-1H-benzimidazol-4-yl]ethanone hydrobromide IUPAC Name: 1-(4-heptylphenyl)-2-[2-(3-hydroxypropylamino)-1H-benzimidazol-4-yl]ethanone hydrobromide Traditional Name: 1-(4-heptylphenyl)-2-[2-(3-hydroxypropylamino)-1H-benzimidazol-4-yl]ethanone hydrobromide Formula: C25H34BrN3O2 MolecularWeight: 488.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)CC2=C3C(=CC=C2)NC(=N3)NCCCO.Br

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)CC2=C3C(=CC=C2)NC(=N3)NCCCO.Br

InChI

InChI=1S/C25H33N3O2.BrH/c1-2-3-4-5-6-9-19-12-14-20(15-13-19)23(30)18-21-10-7-11-22-24(21)28-25(27-22)26-16-8-17-29;/h7,10-15,29H,2-6,8-9,16-18H2,1H3,(H2,26,27,28);1H