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

Systemtic Name: 2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide Openeye Name: 2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-(1-methyl-3-phenyl-propyl)quinoline-4-carboxamide CAS Name: 2-[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]-N-(4-phenylbutan-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-(4-phenylbutan-2-yl)quinoline-4-carboxamide Traditional Name: 2-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]-N-(1-methyl-3-phenyl-propyl)cinchoninamide Formula: C30H27FN4O MolecularWeight: 478.559983

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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)NC(C)CCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NC(C)CCC5=CC=CC=C5

InChI

InChI=1S/C30H27FN4O/c1-20(12-13-22-8-4-3-5-9-22)33-30(36)26-18-29(34-28-11-7-6-10-25(26)28)27-19-32-35(21(27)2)24-16-14-23(31)15-17-24/h3-11,14-20H,12-13H2,1-2H3,(H,33,36)