N-[2,6-bis(bromanyl)-4-nitro-phenyl]-2-(1-ethyl-3-methyl-pyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-2-(1-ethyl-3-methyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(2,6-dibromo-4-nitro-phenyl)-2-(1-ethyl-3-methyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(2,6-dibromo-4-nitrophenyl)-2-(1-ethyl-3-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(2,6-dibromo-4-nitrophenyl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(2,6-dibromo-4-nitro-phenyl)-2-(1-ethyl-3-methyl-pyrazol-4-yl)cinchoninamide Formula: C22H17Br2N5O3 MolecularWeight: 559.21008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4Br)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4Br)[N+](=O)[O-])Br

InChI

InChI=1S/C22H17Br2N5O3/c1-3-28-11-16(12(2)27-28)20-10-15(14-6-4-5-7-19(14)25-20)22(30)26-21-17(23)8-13(29(31)32)9-18(21)24/h4-11H,3H2,1-2H3,(H,26,30)