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

Systemtic Name: 2-(1-adamantyl)-N-[2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(1,3-benzodioxol-5-ylmethyl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-(1-keto-2-piperonyl-5-isoquinolyl)acetamide Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C29H30N2O4/c32-27(15-29-12-19-8-20(13-29)10-21(9-19)14-29)30-24-3-1-2-23-22(24)6-7-31(28(23)33)16-18-4-5-25-26(11-18)35-17-34-25/h1-7,11,19-21H,8-10,12-17H2,(H,30,32)