(E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(2-methyl-6-propan-2-yl-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-N-(2-methyl-6-propan-2-yl-phenyl)prop-2-enamide Openeye Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(2-isopropyl-6-methyl-phenyl)prop-2-enamide CAS Name: (E)-3-(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-N-(2-methyl-6-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-N-(2-isopropyl-6-methyl-phenyl)acrylamide Formula: C21H28ClN3O MolecularWeight: 373.91952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CC(=O)NC2=C(C=CC=C2C(C)C)C)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)NC2=C(C=CC=C2C(C)C)C)Cl

InChI

InChI=1S/C21H28ClN3O/c1-6-7-13-25-21(22)18(16(5)24-25)11-12-19(26)23-20-15(4)9-8-10-17(20)14(2)3/h8-12,14H,6-7,13H2,1-5H3,(H,23,26)/b12-11+