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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2O1)CN3C=CC4=C(C3=O)C=CC=C4NC(=O)CC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1COC2=C(C=CC=C2O1)CN3C=CC4=C(C3=O)C=CC=C4NC(=O)CC56CC7CC(C5)CC(C7)C6

InChI

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