N-(4-bromanyl-2-fluoranyl-phenyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-(1-ethyl-5-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)cinchoninamide Formula: C22H18BrFN4O MolecularWeight: 453.306923

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrFN4O/c1-3-28-13(2)17(12-25-28)21-11-16(15-6-4-5-7-19(15)26-21)22(29)27-20-9-8-14(23)10-18(20)24/h4-12H,3H2,1-2H3,(H,27,29)