N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C26H22BrFN2O2 MolecularWeight: 493.367483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C26H22BrFN2O2/c1-16(2)15-32-19-7-5-6-17(12-19)25-14-21(20-8-3-4-9-23(20)29-25)26(31)30-24-11-10-18(27)13-22(24)28/h3-14,16H,15H2,1-2H3,(H,30,31)