N-(2,6-dimethylphenyl)-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C28H23FN4O MolecularWeight: 450.506823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C5=CC=C(C=C5)F)C

InChI

InChI=1S/C28H23FN4O/c1-17-7-6-8-18(2)27(17)32-28(34)23-15-26(31-25-10-5-4-9-22(23)25)24-16-30-33(19(24)3)21-13-11-20(29)12-14-21/h4-16H,1-3H3,(H,32,34)