(2-oxidanylidene-2-phenylazanyl-ethyl) (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-anilino-2-oxo-ethyl) (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (E)-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid (2-anilino-2-keto-ethyl) ester Formula: C22H20FN3O3 MolecularWeight: 393.410903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C=CC(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H20FN3O3/c1-15-20(16(2)26(25-15)19-10-8-17(23)9-11-19)12-13-22(28)29-14-21(27)24-18-6-4-3-5-7-18/h3-13H,14H2,1-2H3,(H,24,27)/b13-12+