2-(1-adamantyl)-N-[1-oxidanylidene-2-(2-pyridin-3-ylethyl)isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[1-oxidanylidene-2-(2-pyridin-3-ylethyl)isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[1-oxo-2-[2-(3-pyridyl)ethyl]-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[1-oxo-2-[2-(3-pyridinyl)ethyl]-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[1-oxo-2-(2-pyridin-3-ylethyl)isoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-[2-(3-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=CN=CC=C6

Isomeric SMILES

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

InChI

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