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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-2-3-4-5-6-9-14-26-25(28)20-16-22(27-21-11-8-7-10-19(20)21)18-12-13-23-24(15-18)30-17-29-23/h7-8,10-13,15-16H,2-6,9,14,17H2,1H3,(H,26,28)