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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-N-prop-2-enyl-prop-2-enamide Openeye Name: (E)-N-allyl-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-cyano-prop-2-enamide CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-cyano-N-prop-2-enyl-2-propenamide IUPAC Name: (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-2-cyano-N-prop-2-enylprop-2-enamide Traditional Name: (E)-N-allyl-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-cyano-acrylamide Formula: C18H17ClN4O MolecularWeight: 340.80678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)NCC=C)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)NCC=C)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C18H17ClN4O/c1-3-9-21-18(24)15(11-20)10-16-13(2)22-23(17(16)19)12-14-7-5-4-6-8-14/h3-8,10H,1,9,12H2,2H3,(H,21,24)/b15-10+