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

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-N-(4-ethanoylphenyl)prop-2-enamide Openeye Name: (E)-N-(4-acetylphenyl)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(4-acetylphenyl)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(4-acetylphenyl)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(4-acetylphenyl)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylamide Formula: C22H20ClN3O2 MolecularWeight: 393.8661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC2=CC=C(C=C2)C(=O)C)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC2=CC=C(C=C2)C(=O)C)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H20ClN3O2/c1-15-20(22(23)26(25-15)14-17-6-4-3-5-7-17)12-13-21(28)24-19-10-8-18(9-11-19)16(2)27/h3-13H,14H2,1-2H3,(H,24,28)/b13-12+