2-(1,3-benzodioxol-5-yl)-N-(4-bromanyl-2-fluoranyl-phenyl)quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-(4-bromanyl-2-fluoranyl-phenyl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(4-bromo-2-fluoro-phenyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(4-bromo-2-fluorophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(4-bromo-2-fluorophenyl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(4-bromo-2-fluoro-phenyl)cinchoninamide Formula: C23H14BrFN2O3 MolecularWeight: 465.271263

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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=C(C=C(C=C5)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C23H14BrFN2O3/c24-14-6-7-19(17(25)10-14)27-23(28)16-11-20(26-18-4-2-1-3-15(16)18)13-5-8-21-22(9-13)30-12-29-21/h1-11H,12H2,(H,27,28)