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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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