2-(3,5-dimethyl-1-adamantyl)-N-[1-oxidanylidene-2-(pyridin-4-ylmethyl)isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxidanylidene-2-(pyridin-4-ylmethyl)isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxo-2-(4-pyridylmethyl)-5-isoquinolyl]acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxo-2-(pyridin-4-ylmethyl)-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxo-2-(pyridin-4-ylmethyl)isoquinolin-5-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-keto-2-(4-pyridylmethyl)-5-isoquinolyl]acetamide Formula: C29H33N3O2 MolecularWeight: 455.59122

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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=NC=C6)C

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O2/c1-27-12-21-13-28(2,17-27)19-29(14-21,18-27)15-25(33)31-24-5-3-4-23-22(24)8-11-32(26(23)34)16-20-6-9-30-10-7-20/h3-11,21H,12-19H2,1-2H3,(H,31,33)