[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(2-fluorophenyl)-2-propenoic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-fluorophenyl)acrylic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C24H24FN3O3 MolecularWeight: 421.464063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)C=CC2=CC=CC=C2F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2F)C3=CC=CC=C3

InChI

InChI=1S/C24H24FN3O3/c1-24(2,3)20-15-21(28(27-20)18-10-5-4-6-11-18)26-22(29)16-31-23(30)14-13-17-9-7-8-12-19(17)25/h4-15H,16H2,1-3H3,(H,26,29)/b14-13+