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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-(2-chlorobenzyl)-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C27H20ClFN4O MolecularWeight: 470.925303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CC=C5Cl

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC=CC=C5Cl

InChI

InChI=1S/C27H20ClFN4O/c1-17-23(16-31-33(17)20-12-10-19(29)11-13-20)26-14-22(21-7-3-5-9-25(21)32-26)27(34)30-15-18-6-2-4-8-24(18)28/h2-14,16H,15H2,1H3,(H,30,34)