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

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxidanylidene-2-(2-pyridin-2-ylethyl)isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxo-2-[2-(2-pyridyl)ethyl]-5-isoquinolyl]acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxo-2-[2-(2-pyridinyl)ethyl]-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxo-2-(2-pyridin-2-ylethyl)isoquinolin-5-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-keto-2-[2-(2-pyridyl)ethyl]-5-isoquinolyl]acetamide Formula: C30H35N3O2 MolecularWeight: 469.6178

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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=CC=CC=N6)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CCC6=CC=CC=N6)C

InChI

InChI=1S/C30H35N3O2/c1-28-14-21-15-29(2,18-28)20-30(16-21,19-28)17-26(34)32-25-8-5-7-24-23(25)10-13-33(27(24)35)12-9-22-6-3-4-11-31-22/h3-8,10-11,13,21H,9,12,14-20H2,1-2H3,(H,32,34)