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

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C22H18BrFN4O MolecularWeight: 453.306923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C22H18BrFN4O/c1-12-21(13(2)28(3)27-12)20-11-16(15-6-4-5-7-18(15)25-20)22(29)26-19-9-8-14(23)10-17(19)24/h4-11H,1-3H3,(H,26,29)