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

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-(furan-2-ylmethyl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-(2-furylmethyl)-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-(2-furanylmethyl)-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-(furan-2-ylmethyl)-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-N-[2-(2-furfuryl)-1-keto-5-isoquinolyl]acetamide Formula: C28H32N2O3 MolecularWeight: 444.56528

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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=CC=CO6)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CC6=CC=CO6)C

InChI

InChI=1S/C28H32N2O3/c1-26-11-19-12-27(2,16-26)18-28(13-19,17-26)14-24(31)29-23-7-3-6-22-21(23)8-9-30(25(22)32)15-20-5-4-10-33-20/h3-10,19H,11-18H2,1-2H3,(H,29,31)