2-(1,3-benzodioxol-5-yl)-N-(2-ethylhexyl)quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(2-ethylhexyl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(2-ethylhexyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(2-ethylhexyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(2-ethylhexyl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(2-ethylhexyl)cinchoninamide Formula: C25H28N2O3 MolecularWeight: 404.50142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H28N2O3/c1-3-5-8-17(4-2)15-26-25(28)20-14-22(27-21-10-7-6-9-19(20)21)18-11-12-23-24(13-18)30-16-29-23/h6-7,9-14,17H,3-5,8,15-16H2,1-2H3,(H,26,28)