N-(4-chlorophenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N-(4-chlorophenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-(4-chlorophenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-(4-chlorophenyl)-2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-(4-chlorophenyl)-2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-(4-chlorophenyl)-2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C28H23ClN4O MolecularWeight: 466.96142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC=C(C=C5)Cl)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=CC=C(C=C5)Cl)C

InChI

InChI=1S/C28H23ClN4O/c1-3-19-8-14-22(15-9-19)33-18(2)25(17-30-33)27-16-24(23-6-4-5-7-26(23)32-27)28(34)31-21-12-10-20(29)11-13-21/h4-17H,3H2,1-2H3,(H,31,34)