N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(1-ethyl-3-methyl-pyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-(1-ethyl-3-methyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-(1-ethyl-3-methyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-(1-ethyl-3-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-(1-ethyl-3-methyl-pyrazol-4-yl)cinchoninamide Formula: C29H23ClN4O2 MolecularWeight: 494.97152

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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=C4)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H23ClN4O2/c1-3-34-17-24(18(2)33-34)27-16-22(21-11-7-8-12-25(21)31-27)29(36)32-26-14-13-20(30)15-23(26)28(35)19-9-5-4-6-10-19/h4-17H,3H2,1-2H3,(H,32,36)