2-(1-adamantyl)-N-[1-oxidanylidene-2-(2-pyridin-4-ylethyl)isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[1-oxidanylidene-2-(2-pyridin-4-ylethyl)isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[1-oxo-2-[2-(4-pyridyl)ethyl]-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[1-oxo-2-(2-pyridin-4-ylethyl)-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[1-oxo-2-(2-pyridin-4-ylethyl)isoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-[2-(4-pyridyl)ethyl]-5-isoquinolyl]acetamide Formula: C28H31N3O2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CCC6=CC=NC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CCC6=CC=NC=C6

InChI

InChI=1S/C28H31N3O2/c32-26(18-28-15-20-12-21(16-28)14-22(13-20)17-28)30-25-3-1-2-24-23(25)7-11-31(27(24)33)10-6-19-4-8-29-9-5-19/h1-5,7-9,11,20-22H,6,10,12-18H2,(H,30,32)