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

Systemtic Name: (E)-3-[5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]-2-cyano-N-cyclohexyl-prop-2-enamide Openeye Name: (E)-3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]-2-cyano-N-cyclohexyl-prop-2-enamide CAS Name: (E)-3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-4-pyrazolyl]-2-cyano-N-cyclohexyl-2-propenamide IUPAC Name: (E)-3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-2-cyano-N-cyclohexylprop-2-enamide Traditional Name: (E)-3-[5-chloro-1-(4-fluorobenzyl)-3-methyl-pyrazol-4-yl]-2-cyano-N-cyclohexyl-acrylamide Formula: C21H22ClFN4O MolecularWeight: 400.876983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)NC2CCCCC2)Cl)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)NC2CCCCC2)Cl)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22ClFN4O/c1-14-19(11-16(12-24)21(28)25-18-5-3-2-4-6-18)20(22)27(26-14)13-15-7-9-17(23)10-8-15/h7-11,18H,2-6,13H2,1H3,(H,25,28)/b16-11+