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

Systemtic Name: 1-cyanoethyl (E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 1-cyanoethyl (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 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl (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 1-cyanoethyl ester Formula: C21H16FN3O2 MolecularWeight: 361.369043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN3O2/c1-15(13-23)27-20(26)12-9-17-14-25(19-5-3-2-4-6-19)24-21(17)16-7-10-18(22)11-8-16/h2-12,14-15H,1H3/b12-9+