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

Systemtic Name: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[1-(4-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-2-phenyl-cinchoninamide Formula: C28H23FN4O MolecularWeight: 450.506823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)F)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H23FN4O/c1-18-27(19(2)33(32-18)17-20-12-14-22(29)15-13-20)31-28(34)24-16-26(21-8-4-3-5-9-21)30-25-11-7-6-10-23(24)25/h3-16H,17H2,1-2H3,(H,31,34)