2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylhexyl)quinoline-4-carboxamide

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylhexyl)quinoline-4-carboxamide Openeye Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylhexyl)quinoline-4-carboxamide CAS Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylhexyl)-4-quinolinecarboxamide IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylhexyl)quinoline-4-carboxamide Traditional Name: 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethylhexyl)cinchoninamide Formula: C29H37N3O3 MolecularWeight: 475.62238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C29H37N3O3/c1-5-7-10-20(6-2)18-30-29(33)24-17-28(31-25-12-9-8-11-23(24)25)32-14-13-21-15-26(34-3)27(35-4)16-22(21)19-32/h8-9,11-12,15-17,20H,5-7,10,13-14,18-19H2,1-4H3,(H,30,33)