(E)-2-cyano-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]-N-phenethyl-acrylamide Formula: C23H21FN4O MolecularWeight: 388.437443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C=C(C#N)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C(\C#N)/C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H21FN4O/c1-16-22(17(2)28(27-16)21-10-8-20(24)9-11-21)14-19(15-25)23(29)26-13-12-18-6-4-3-5-7-18/h3-11,14H,12-13H2,1-2H3,(H,26,29)/b19-14+