3-oxidanylidenebutan-2-yl (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: 3-oxidanylidenebutan-2-yl (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (1-methyl-2-oxo-propyl) (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl (E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-keto-1-methyl-propyl) ester Formula: C22H19FN2O3 MolecularWeight: 378.396263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C=CC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)OC(=O)/C=C/C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C22H19FN2O3/c1-15(26)16(2)28-21(27)13-10-18-14-25(20-6-4-3-5-7-20)24-22(18)17-8-11-19(23)12-9-17/h3-14,16H,1-2H3/b13-10+