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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-butyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-butyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-butyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-butylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-butyl-cinchoninamide Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3/c1-2-3-10-22-21(24)16-12-18(23-17-7-5-4-6-15(16)17)14-8-9-19-20(11-14)26-13-25-19/h4-9,11-12H,2-3,10,13H2,1H3,(H,22,24)