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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-N-cyclohexyl-prop-2-enamide Openeye Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-cyano-N-cyclohexyl-prop-2-enamide CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-cyano-N-cyclohexyl-2-propenamide IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-2-cyano-N-cyclohexylprop-2-enamide Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-cyano-N-cyclohexyl-acrylamide Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O/c1-15-19(20(22)26(25-15)14-16-8-4-2-5-9-16)12-17(13-23)21(27)24-18-10-6-3-7-11-18/h2,4-5,8-9,12,18H,3,6-7,10-11,14H2,1H3,(H,24,27)/b17-12+