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

Systemtic Name: 3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: 3-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-2-cyanoprop-2-enamide Traditional Name: N-benzyl-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-acrylamide Formula: C21H16ClFN4O MolecularWeight: 394.829343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)NCC2=CC=CC=C2)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C=C(C#N)C(=O)NCC2=CC=CC=C2)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H16ClFN4O/c1-14-19(20(22)27(26-14)18-9-7-17(23)8-10-18)11-16(12-24)21(28)25-13-15-5-3-2-4-6-15/h2-11H,13H2,1H3,(H,25,28)