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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N,N-dihexyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N,N-dihexyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N,N-dihexyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N,N-dihexylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N,N-dihexyl-cinchoninamide Formula: C29H36N2O3 MolecularWeight: 460.60774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O3/c1-3-5-7-11-17-31(18-12-8-6-4-2)29(32)24-20-26(30-25-14-10-9-13-23(24)25)22-15-16-27-28(19-22)34-21-33-27/h9-10,13-16,19-20H,3-8,11-12,17-18,21H2,1-2H3