3-(3,5-dimethylpyrazol-1-yl)-6-fluoranyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-6-fluoranyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-6-fluoro-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-6-fluoro-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-6-fluoro-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-6-fluoro-2-phenyl-cinchoninic acid Formula: C21H16FN3O2 MolecularWeight: 361.369043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(N=C3C=CC(=CC3=C2C(=O)O)F)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=C(N=C3C=CC(=CC3=C2C(=O)O)F)C4=CC=CC=C4)C

InChI

InChI=1S/C21H16FN3O2/c1-12-10-13(2)25(24-12)20-18(21(26)27)16-11-15(22)8-9-17(16)23-19(20)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,26,27)