8-fluoranyl-1-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-fluoranyl-1-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-fluoro-1-[[4-(1-isobutylpyrazol-4-yl)phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-fluoro-1-[[4-[1-(2-methylpropyl)-4-pyrazolyl]phenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-fluoro-1-[[4-[1-(2-methylpropyl)pyrazol-4-yl]phenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-fluoro-1-[4-(1-isobutylpyrazol-4-yl)benzyl]-4-keto-quinoline-3-carboxylic acid Formula: C24H22FN3O3 MolecularWeight: 419.448183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C=N1)C2=CC=C(C=C2)CN3C=C(C(=O)C4=C3C(=CC=C4)F)C(=O)O

Isomeric SMILES

CC(C)CN1C=C(C=N1)C2=CC=C(C=C2)CN3C=C(C(=O)C4=C3C(=CC=C4)F)C(=O)O

InChI

InChI=1S/C24H22FN3O3/c1-15(2)11-28-13-18(10-26-28)17-8-6-16(7-9-17)12-27-14-20(24(30)31)23(29)19-4-3-5-21(25)22(19)27/h3-10,13-15H,11-12H2,1-2H3,(H,30,31)