N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinoline-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxidanylidene-6-(trifluoromethyl)quinoline-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxo-6-(trifluoromethyl)-3-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide Traditional Name: 1-ethyl-4-keto-N-piperonyl-6-(trifluoromethyl)quinoline-3-carboxamide Formula: C21H17F3N2O4 MolecularWeight: 418.36589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C=CC(=C2)C(F)(F)F)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17F3N2O4/c1-2-26-10-15(19(27)14-8-13(21(22,23)24)4-5-16(14)26)20(28)25-9-12-3-6-17-18(7-12)30-11-29-17/h3-8,10H,2,9,11H2,1H3,(H,25,28)