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

Systemtic Name: (E)-3-[5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: (E)-3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-4-pyrazolyl]-2-cyano-N-phenethyl-2-propenamide IUPAC Name: (E)-3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-3-[5-chloro-1-(4-fluorobenzyl)-3-methyl-pyrazol-4-yl]-2-cyano-N-phenethyl-acrylamide Formula: C23H20ClFN4O MolecularWeight: 422.882503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)NCCC2=CC=CC=C2)Cl)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2)Cl)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H20ClFN4O/c1-16-21(22(24)29(28-16)15-18-7-9-20(25)10-8-18)13-19(14-26)23(30)27-12-11-17-5-3-2-4-6-17/h2-10,13H,11-12,15H2,1H3,(H,27,30)/b19-13+