(E)-N-(2-tert-butylphenyl)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(2-tert-butylphenyl)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-(2-tert-butylphenyl)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-(2-tert-butylphenyl)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(2-tert-butylphenyl)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enamide Traditional Name: (E)-N-(2-tert-butylphenyl)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acrylamide Formula: C21H28ClN3O MolecularWeight: 373.91952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC2=CC=CC=C2C(C)(C)C)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)NC2=CC=CC=C2C(C)(C)C)Cl)CC(C)C

InChI

InChI=1S/C21H28ClN3O/c1-14(2)13-25-20(22)16(15(3)24-25)11-12-19(26)23-18-10-8-7-9-17(18)21(4,5)6/h7-12,14H,13H2,1-6H3,(H,23,26)/b12-11+