N-(2-chloranyl-5-nitro-phenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C22H18ClN5O3 MolecularWeight: 435.86302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

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