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

Systemtic Name: 1-[(4-bromanylphenoxy)methyl]-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenoxy)methyl]-N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromophenoxy)methyl]-N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)pyrazole-3-carboxamide Formula: C21H22BrN3O3 MolecularWeight: 444.32168

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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=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O3/c1-13(2)17-11-19(14(3)10-20(17)26)23-21(27)18-8-9-25(24-18)12-28-16-6-4-15(22)5-7-16/h4-11,13,26H,12H2,1-3H3,(H,23,27)