N-[2-[bis(fluoranyl)methoxy]-4-methyl-phenyl]-6-bromanyl-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-[bis(fluoranyl)methoxy]-4-methyl-phenyl]-6-bromanyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-[2-(difluoromethoxy)-4-methyl-phenyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[2-(difluoromethoxy)-4-methylphenyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[2-(difluoromethoxy)-4-methylphenyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[2-(difluoromethoxy)-4-methyl-phenyl]-2-(3-pyridyl)cinchoninamide Formula: C23H16BrF2N3O2 MolecularWeight: 484.292846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CN=CC=C4)OC(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CN=CC=C4)OC(F)F

InChI

InChI=1S/C23H16BrF2N3O2/c1-13-4-6-19(21(9-13)31-23(25)26)29-22(30)17-11-20(14-3-2-8-27-12-14)28-18-7-5-15(24)10-16(17)18/h2-12,23H,1H3,(H,29,30)