2-(1-ethylpyrazol-4-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]quinoline-4-carboxamide

Systemtic Name: 2-(1-ethylpyrazol-4-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]quinoline-4-carboxamide Openeye Name: 2-(1-ethylpyrazol-4-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]quinoline-4-carboxamide CAS Name: 2-(1-ethyl-4-pyrazolyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-ethylpyrazol-4-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]quinoline-4-carboxamide Traditional Name: 2-(1-ethylpyrazol-4-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]cinchoninamide Formula: C28H20F3N5O4 MolecularWeight: 547.48471

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC5=CC=CC(=C5)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC5=CC=CC(=C5)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C28H20F3N5O4/c1-2-35-16-17(15-32-35)26-14-24(23-8-3-4-9-25(23)34-26)27(37)33-19-11-20(36(38)39)13-22(12-19)40-21-7-5-6-18(10-21)28(29,30)31/h3-16H,2H2,1H3,(H,33,37)