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

Systemtic Name: 2-(1-ethyl-3-methyl-pyrazol-4-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]quinoline-4-carboxamide Openeye Name: 2-(1-ethyl-3-methyl-pyrazol-4-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]quinoline-4-carboxamide CAS Name: 2-(1-ethyl-3-methyl-4-pyrazolyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]quinoline-4-carboxamide Traditional Name: 2-(1-ethyl-3-methyl-pyrazol-4-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]cinchoninamide Formula: C29H22F3N5O4 MolecularWeight: 561.51129

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)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)C)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/C29H22F3N5O4/c1-3-36-16-25(17(2)35-36)27-15-24(23-9-4-5-10-26(23)34-27)28(38)33-19-12-20(37(39)40)14-22(13-19)41-21-8-6-7-18(11-21)29(30,31)32/h4-16H,3H2,1-2H3,(H,33,38)