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

Systemtic Name: 2-(1-adamantyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-keto-5-isoquinolyl]acetamide Formula: C30H32N2O4 MolecularWeight: 484.58608

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6COC7=CC=CC=C7O6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6COC7=CC=CC=C7O6

InChI

InChI=1S/C30H32N2O4/c33-28(16-30-13-19-10-20(14-30)12-21(11-19)15-30)31-25-5-3-4-24-23(25)8-9-32(29(24)34)17-22-18-35-26-6-1-2-7-27(26)36-22/h1-9,19-22H,10-18H2,(H,31,33)