N-(1-adamantyl)-1-octyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-(1-adamantyl)-1-octyl-2-oxidanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(1-adamantyl)-2-hydroxy-1-octyl-4-oxo-quinoline-3-carboxamide CAS Name: N-(1-adamantyl)-2-hydroxy-1-octyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(1-adamantyl)-2-hydroxy-1-octyl-4-oxoquinoline-3-carboxamide Traditional Name: N-(1-adamantyl)-2-hydroxy-4-keto-1-octyl-quinoline-3-carboxamide Formula: C28H38N2O3 MolecularWeight: 450.61292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCCCCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H38N2O3/c1-2-3-4-5-6-9-12-30-23-11-8-7-10-22(23)25(31)24(27(30)33)26(32)29-28-16-19-13-20(17-28)15-21(14-19)18-28/h7-8,10-11,19-21,33H,2-6,9,12-18H2,1H3,(H,29,32)