1-(1-adamantyl)-2-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]ethanone hydrobromide

Systemtic Name: 1-(1-adamantyl)-2-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]ethanone hydrobromide Openeye Name: 1-(1-adamantyl)-2-(3-benzyl-2-imino-benzimidazol-1-yl)ethanone hydrobromide CAS Name: 1-(1-adamantyl)-2-[2-imino-3-(phenylmethyl)-1-benzimidazolyl]ethanone hydrobromide IUPAC Name: 1-(1-adamantyl)-2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanone hydrobromide Traditional Name: 1-(1-adamantyl)-2-(3-benzyl-2-imino-benzimidazol-1-yl)ethanone hydrobromide Formula: C26H30BrN3O MolecularWeight: 480.4399

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C5=CC=CC=C5N(C4=N)CC6=CC=CC=C6.Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C5=CC=CC=C5N(C4=N)CC6=CC=CC=C6.Br

InChI

InChI=1S/C26H29N3O.BrH/c27-25-28(16-18-6-2-1-3-7-18)22-8-4-5-9-23(22)29(25)17-24(30)26-13-19-10-20(14-26)12-21(11-19)15-26;/h1-9,19-21,27H,10-17H2;1H