N-(4-bromanyl-2-fluoranyl-phenyl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(1-ethylpyrazol-4-yl)cinchoninamide Formula: C21H16BrFN4O MolecularWeight: 439.280343

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H16BrFN4O/c1-2-27-12-13(11-24-27)20-10-16(15-5-3-4-6-18(15)25-20)21(28)26-19-8-7-14(22)9-17(19)23/h3-12H,2H2,1H3,(H,26,28)