4-[[2-(3-fluorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-(3-fluorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-(3-fluorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[2-(3-fluorophenyl)-5-methyl-4-phenyl-3-pyrazolyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[2-(3-fluorophenyl)-5-methyl-4-phenylpyrazol-3-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[2-(3-fluorophenyl)-5-methyl-4-phenyl-pyrazol-3-yl]amino]-4-keto-butyric acid Formula: C20H18FN3O3 MolecularWeight: 367.373623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCC(=O)O)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=NN(C(=C1C2=CC=CC=C2)NC(=O)CCC(=O)O)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H18FN3O3/c1-13-19(14-6-3-2-4-7-14)20(22-17(25)10-11-18(26)27)24(23-13)16-9-5-8-15(21)12-16/h2-9,12H,10-11H2,1H3,(H,22,25)(H,26,27)