N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-7-fluoranyl-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-7-fluoranyl-2-methyl-quinoline-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-7-fluoro-2-methyl-quinoline-4-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]-7-fluoro-2-methyl-4-quinolinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-7-fluoro-2-methylquinoline-4-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-7-fluoro-2-methyl-cinchoninamide Formula: C25H18FN3O4 MolecularWeight: 443.426523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)F)C(=C1)C(=O)NC3=CC=CC=C3C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H18FN3O4/c1-14-10-19(17-8-6-15(26)11-21(17)27-14)25(31)29-20-5-3-2-4-18(20)24(30)28-16-7-9-22-23(12-16)33-13-32-22/h2-12H,13H2,1H3,(H,28,30)(H,29,31)