[5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] (E)-3-phenylprop-2-enoate Openeye Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [5-tert-butyl-2-(3-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [5-tert-butyl-2-(3-fluorophenyl)pyrazol-3-yl] ester Formula: C22H21FN2O2 MolecularWeight: 364.412743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)OC(=O)C=CC2=CC=CC=C2)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OC(=O)/C=C/C2=CC=CC=C2)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H21FN2O2/c1-22(2,3)19-15-20(25(24-19)18-11-7-10-17(23)14-18)27-21(26)13-12-16-8-5-4-6-9-16/h4-15H,1-3H3/b13-12+