N-(1-adamantyl)-2-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]ethanamide hydrochloride

Systemtic Name: N-(1-adamantyl)-2-[2-azanylidene-3-(phenylmethyl)benzimidazol-1-yl]ethanamide hydrochloride Openeye Name: N-(1-adamantyl)-2-(3-benzyl-2-imino-benzimidazol-1-yl)acetamide hydrochloride CAS Name: N-(1-adamantyl)-2-[2-imino-3-(phenylmethyl)-1-benzimidazolyl]acetamide hydrochloride IUPAC Name: N-(1-adamantyl)-2-(3-benzyl-2-iminobenzimidazol-1-yl)acetamide hydrochloride Traditional Name: N-(1-adamantyl)-2-(3-benzyl-2-imino-benzimidazol-1-yl)acetamide hydrochloride Formula: C26H31ClN4O MolecularWeight: 451.00354

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C5=CC=CC=C5N(C4=N)CC6=CC=CC=C6.Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C5=CC=CC=C5N(C4=N)CC6=CC=CC=C6.Cl

InChI

InChI=1S/C26H30N4O.ClH/c27-25-29(16-18-6-2-1-3-7-18)22-8-4-5-9-23(22)30(25)17-24(31)28-26-13-19-10-20(14-26)12-21(11-19)15-26;/h1-9,19-21,27H,10-17H2,(H,28,31);1H