N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]-2-(3,5-dimethyl-1-adamantyl)ethanamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]-2-(3,5-dimethyl-1-adamantyl)ethanamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-oxo-5-isoquinolyl]-2-(3,5-dimethyl-1-adamantyl)acetamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-oxo-5-isoquinolinyl]-2-(3,5-dimethyl-1-adamantyl)acetamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-oxoisoquinolin-5-yl]-2-(3,5-dimethyl-1-adamantyl)acetamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-keto-5-isoquinolyl]-2-(3,5-dimethyl-1-adamantyl)acetamide Formula: C32H36N2O4 MolecularWeight: 512.63924

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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=CC7=C(C=C6)OCCO7)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=CC7=C(C=C6)OCCO7)C

InChI

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