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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-heptan-4-yl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(1-propylbutyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-heptan-4-yl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-heptan-4-ylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(1-propylbutyl)cinchoninamide Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCC(CCC)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H26N2O3/c1-3-7-17(8-4-2)25-24(27)19-14-21(26-20-10-6-5-9-18(19)20)16-11-12-22-23(13-16)29-15-28-22/h5-6,9-14,17H,3-4,7-8,15H2,1-2H3,(H,25,27)