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

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxidanylidene-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxo-2-(3-pyridylmethyl)-5-isoquinolyl]acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxo-2-(3-pyridinylmethyl)-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-oxo-2-(pyridin-3-ylmethyl)isoquinolin-5-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-N-[1-keto-2-(3-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=CN=CC=C6)C

Isomeric SMILES

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

InChI

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