N-(2-chloranyl-5-nitro-phenyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-(1-ethyl-5-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)cinchoninamide Formula: C22H18ClN5O3 MolecularWeight: 435.86302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN5O3/c1-3-27-13(2)17(12-24-27)20-11-16(15-6-4-5-7-19(15)25-20)22(29)26-21-10-14(28(30)31)8-9-18(21)23/h4-12H,3H2,1-2H3,(H,26,29)