1-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluoranyl-phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluoranyl-phenyl]methyl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluoro-phenyl]methyl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorophenyl]methyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluorophenyl]methyl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-2-fluoro-benzyl]-4-keto-quinoline-3-carboxylic acid Formula: C22H18FN3O3 MolecularWeight: 391.395023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C2=CC(=C(C=C2)CN3C=C(C(=O)C4=CC=CC=C43)C(=O)O)F

Isomeric SMILES

CC1=C(C(=NN1)C)C2=CC(=C(C=C2)CN3C=C(C(=O)C4=CC=CC=C43)C(=O)O)F

InChI

InChI=1S/C22H18FN3O3/c1-12-20(13(2)25-24-12)14-7-8-15(18(23)9-14)10-26-11-17(22(28)29)21(27)16-5-3-4-6-19(16)26/h3-9,11H,10H2,1-2H3,(H,24,25)(H,28,29)