2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-ynyl-quinoline-4-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-ynyl-quinoline-4-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-ynyl-quinoline-4-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-ynyl-4-quinolinecarboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-prop-2-ynylquinoline-4-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propargyl-cinchoninamide Formula: C21H16N2O3 MolecularWeight: 344.36334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C#CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H16N2O3/c1-2-9-22-21(24)16-13-18(23-17-6-4-3-5-15(16)17)14-7-8-19-20(12-14)26-11-10-25-19/h1,3-8,12-13H,9-11H2,(H,22,24)