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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-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-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-benzyl-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-cyano-acrylamide Formula: C22H19ClN4O MolecularWeight: 390.86546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)NCC2=CC=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H19ClN4O/c1-16-20(21(23)27(26-16)15-18-10-6-3-7-11-18)12-19(13-24)22(28)25-14-17-8-4-2-5-9-17/h2-12H,14-15H2,1H3,(H,25,28)/b19-12+