3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-N-phenethyl-prop-2-enamide

Systemtic Name: 3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-N-phenethyl-prop-2-enamide CAS Name: 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-2-cyano-N-phenethyl-2-propenamide IUPAC Name: 3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-phenethylprop-2-enamide Traditional Name: 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-N-phenethyl-acrylamide Formula: C22H18ClFN4O MolecularWeight: 408.855923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)NCCC2=CC=CC=C2)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C=C(C#N)C(=O)NCCC2=CC=CC=C2)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18ClFN4O/c1-15-20(21(23)28(27-15)19-9-7-18(24)8-10-19)13-17(14-25)22(29)26-12-11-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3,(H,26,29)