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

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

Isomeric SMILES

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

InChI

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