2-(3,5-dimethyl-1-adamantyl)-N-[2-[2-(1H-imidazol-5-yl)ethyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[2-(1H-imidazol-5-yl)ethyl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[2-(1H-imidazol-5-yl)ethyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[2-(1H-imidazol-5-yl)ethyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[2-(1H-imidazol-5-yl)ethyl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-[2-(1H-imidazol-5-yl)ethyl]-1-keto-5-isoquinolyl]acetamide Formula: C28H34N4O2 MolecularWeight: 458.59516

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CCC6=CN=CN6)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CCC6=CN=CN6)C

InChI

InChI=1S/C28H34N4O2/c1-26-10-19-11-27(2,15-26)17-28(12-19,16-26)13-24(33)31-23-5-3-4-22-21(23)7-9-32(25(22)34)8-6-20-14-29-18-30-20/h3-5,7,9,14,18-19H,6,8,10-13,15-17H2,1-2H3,(H,29,30)(H,31,33)