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

Systemtic Name: phenacyl 3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enoate Openeye Name: phenacyl 3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)-4-pyrazolyl]-2-propenoic acid phenacyl ester IUPAC Name: phenacyl 3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]prop-2-enoate Traditional Name: 3-[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]acrylic acid phenacyl ester Formula: C23H18FN3O3 MolecularWeight: 403.405723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)F)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)F)CCC#N

InChI

InChI=1S/C23H18FN3O3/c24-20-10-7-18(8-11-20)23-19(15-27(26-23)14-4-13-25)9-12-22(29)30-16-21(28)17-5-2-1-3-6-17/h1-3,5-12,15H,4,14,16H2