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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=C(N(N=C2C)CC3=CC=CC=C3)Cl)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)/C(=C/C2=C(N(N=C2C)CC3=CC=CC=C3)Cl)/C#N

InChI

InChI=1S/C22H19ClN4O/c1-15-7-6-10-19(11-15)25-22(28)18(13-24)12-20-16(2)26-27(21(20)23)14-17-8-4-3-5-9-17/h3-12H,14H2,1-2H3,(H,25,28)/b18-12+