N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide Openeye Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(4-fluorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide Traditional Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(4-fluorophenyl)cinchoninamide Formula: C25H18FN3O3 MolecularWeight: 427.427123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C/C(=N\NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)F)/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H18FN3O3/c1-15(17-8-11-23-24(12-17)32-14-31-23)28-29-25(30)20-13-22(16-6-9-18(26)10-7-16)27-21-5-3-2-4-19(20)21/h2-13H,14H2,1H3,(H,29,30)/b28-15+