N-[(3-fluorophenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide Openeye Name: N-[(3-fluorophenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]quinoline-4-carboxamide CAS Name: N-[(3-fluorophenyl)methyl]-2-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]-4-quinolinecarboxamide IUPAC Name: N-[(3-fluorophenyl)methyl]-2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]quinoline-4-carboxamide Traditional Name: N-(3-fluorobenzyl)-2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]cinchoninamide Formula: C27H20F2N4O MolecularWeight: 454.470706

Click to see the large picture

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=C5)F

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NCC5=CC(=CC=C5)F

InChI

InChI=1S/C27H20F2N4O/c1-17-24(16-31-33(17)21-11-9-19(28)10-12-21)26-14-23(22-7-2-3-8-25(22)32-26)27(34)30-15-18-5-4-6-20(29)13-18/h2-14,16H,15H2,1H3,(H,30,34)