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

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxidanylidene-2-(phenylmethyl)isoquinolin-5-yl]ethanamide Openeye Name: N-(2-benzyl-1-oxo-5-isoquinolyl)-2-(3,5-dimethyl-1-adamantyl)acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxo-2-(phenylmethyl)-5-isoquinolinyl]acetamide IUPAC Name: N-(2-benzyl-1-oxoisoquinolin-5-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide Traditional Name: N-(2-benzyl-1-keto-5-isoquinolyl)-2-(3,5-dimethyl-1-adamantyl)acetamide Formula: C30H34N2O2 MolecularWeight: 454.60316

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=CC=CC=C6)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=CC=CC=C6)C

InChI

InChI=1S/C30H34N2O2/c1-28-13-22-14-29(2,18-28)20-30(15-22,19-28)16-26(33)31-25-10-6-9-24-23(25)11-12-32(27(24)34)17-21-7-4-3-5-8-21/h3-12,22H,13-20H2,1-2H3,(H,31,33)