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

Systemtic Name: (E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-N-octyl-prop-2-enamide Openeye Name: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-N-octyl-prop-2-enamide CAS Name: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-2-cyano-N-octyl-2-propenamide IUPAC Name: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyano-N-octylprop-2-enamide Traditional Name: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-N-octyl-acrylamide Formula: C22H26ClFN4O MolecularWeight: 416.919443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C(=CC1=C(N(N=C1C)C2=CC=C(C=C2)F)Cl)C#N

Isomeric SMILES

CCCCCCCCNC(=O)/C(=C/C1=C(N(N=C1C)C2=CC=C(C=C2)F)Cl)/C#N

InChI

InChI=1S/C22H26ClFN4O/c1-3-4-5-6-7-8-13-26-22(29)17(15-25)14-20-16(2)27-28(21(20)23)19-11-9-18(24)10-12-19/h9-12,14H,3-8,13H2,1-2H3,(H,26,29)/b17-14+