N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-(1-ethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-(1-ethylpyrazol-4-yl)cinchoninamide Formula: C28H21ClN4O2 MolecularWeight: 480.94494

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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)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H21ClN4O2/c1-2-33-17-19(16-30-33)26-15-22(21-10-6-7-11-24(21)31-26)28(35)32-25-13-12-20(29)14-23(25)27(34)18-8-4-3-5-9-18/h3-17H,2H2,1H3,(H,32,35)