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

Systemtic Name: 2-(1-methylpyrazol-4-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]quinoline-4-carboxamide Openeye Name: 2-(1-methylpyrazol-4-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]quinoline-4-carboxamide CAS Name: 2-(1-methyl-4-pyrazolyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-methylpyrazol-4-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]quinoline-4-carboxamide Traditional Name: 2-(1-methylpyrazol-4-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]cinchoninamide Formula: C27H18F3N5O4 MolecularWeight: 533.45813

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=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

CN1C=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/C27H18F3N5O4/c1-34-15-16(14-31-34)25-13-23(22-7-2-3-8-24(22)33-25)26(36)32-18-10-19(35(37)38)12-21(11-18)39-20-6-4-5-17(9-20)27(28,29)30/h2-15H,1H3,(H,32,36)