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

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]-2-(3,5-dimethyl-1-adamantyl)ethanamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-oxo-5-isoquinolyl]-2-(3,5-dimethyl-1-adamantyl)acetamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-oxo-5-isoquinolinyl]-2-(3,5-dimethyl-1-adamantyl)acetamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-oxoisoquinolin-5-yl]-2-(3,5-dimethyl-1-adamantyl)acetamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-keto-5-isoquinolyl]-2-(3,5-dimethyl-1-adamantyl)acetamide Formula: C32H36N2O4 MolecularWeight: 512.63924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6COC7=CC=CC=C7O6)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6COC7=CC=CC=C7O6)C

InChI

InChI=1S/C32H36N2O4/c1-30-12-21-13-31(2,18-30)20-32(14-21,19-30)15-28(35)33-25-7-5-6-24-23(25)10-11-34(29(24)36)16-22-17-37-26-8-3-4-9-27(26)38-22/h3-11,21-22H,12-20H2,1-2H3,(H,33,35)