N-(4-bromanyl-2-fluoranyl-phenyl)-2-(2,5-dimethoxyphenyl)-6-methyl-quinoline-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(2,5-dimethoxyphenyl)-6-methyl-quinoline-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(2,5-dimethoxyphenyl)-6-methyl-quinoline-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-(2,5-dimethoxyphenyl)-6-methyl-4-quinolinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-(2,5-dimethoxyphenyl)-6-methyl-cinchoninamide Formula: C25H20BrFN2O3 MolecularWeight: 495.340303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C=C(C=C3)Br)F)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC3=C(C=C(C=C3)Br)F)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C25H20BrFN2O3/c1-14-4-7-21-17(10-14)18(25(30)29-22-8-5-15(26)11-20(22)27)13-23(28-21)19-12-16(31-2)6-9-24(19)32-3/h4-13H,1-3H3,(H,29,30)