2-(1-adamantyl)-N-[1-oxidanylidene-2-(4-pyrrolidin-1-ylbutyl)isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[1-oxidanylidene-2-(4-pyrrolidin-1-ylbutyl)isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[1-oxo-2-(4-pyrrolidin-1-ylbutyl)-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[1-oxo-2-[4-(1-pyrrolidinyl)butyl]-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[1-oxo-2-(4-pyrrolidin-1-ylbutyl)isoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[1-keto-2-(4-pyrrolidinobutyl)-5-isoquinolyl]acetamide Formula: C29H39N3O2 MolecularWeight: 461.63886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCN(C1)CCCCN2C=CC3=C(C2=O)C=CC=C3NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H39N3O2/c33-27(20-29-17-21-14-22(18-29)16-23(15-21)19-29)30-26-7-5-6-25-24(26)8-13-32(28(25)34)12-4-3-11-31-9-1-2-10-31/h5-8,13,21-23H,1-4,9-12,14-20H2,(H,30,33)