2-(1,3-benzodioxol-5-yl)-N-[3,5-bis(trifluoromethyl)phenyl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[3,5-bis(trifluoromethyl)phenyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[3,5-bis(trifluoromethyl)phenyl]quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[3,5-bis(trifluoromethyl)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[3,5-bis(trifluoromethyl)phenyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[3,5-bis(trifluoromethyl)phenyl]cinchoninamide Formula: C25H14F6N2O3 MolecularWeight: 504.380679

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H14F6N2O3/c26-24(27,28)14-8-15(25(29,30)31)10-16(9-14)32-23(34)18-11-20(33-19-4-2-1-3-17(18)19)13-5-6-21-22(7-13)36-12-35-21/h1-11H,12H2,(H,32,34)