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

Systemtic Name: 2-(1-adamantyl)-N-[1-oxidanylidene-2-(3-pyridin-2-ylpropyl)isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[1-oxo-2-[3-(2-pyridyl)propyl]-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[1-oxo-2-[3-(2-pyridinyl)propyl]-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[1-oxo-2-(3-pyridin-2-ylpropyl)isoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-[3-(2-pyridyl)propyl]-5-isoquinolyl]acetamide Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CCCC6=CC=CC=N6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CCCC6=CC=CC=N6

InChI

InChI=1S/C29H33N3O2/c33-27(19-29-16-20-13-21(17-29)15-22(14-20)18-29)31-26-8-3-7-25-24(26)9-12-32(28(25)34)11-4-6-23-5-1-2-10-30-23/h1-3,5,7-10,12,20-22H,4,6,11,13-19H2,(H,31,33)