2-(1-adamantyl)-N-[1-oxidanylidene-2-(3-pyridin-4-ylpropyl)isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[1-oxidanylidene-2-(3-pyridin-4-ylpropyl)isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[1-oxo-2-[3-(4-pyridyl)propyl]-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[1-oxo-2-(3-pyridin-4-ylpropyl)-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[1-oxo-2-(3-pyridin-4-ylpropyl)isoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-[3-(4-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=NC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)CCCC6=CC=NC=C6

InChI

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