1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(2-bromo-4-chlorophenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide Traditional Name: 1-[(2-bromo-4-chloro-phenoxy)methyl]-N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)pyrazole-3-carboxamide Formula: C21H21BrClN3O3 MolecularWeight: 478.76674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C2=NN(C=C2)COC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C21H21BrClN3O3/c1-12(2)15-10-18(13(3)8-19(15)27)24-21(28)17-6-7-26(25-17)11-29-20-5-4-14(23)9-16(20)22/h4-10,12,27H,11H2,1-3H3,(H,24,28)