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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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