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

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-(1-ethyl-5-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(4-chloro-2-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=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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