1-[(4-tert-butylphenoxy)methyl]-N-(5-chloranyl-2-oxidanyl-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-tert-butylphenoxy)methyl]-N-(5-chloranyl-2-oxidanyl-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-(5-chloro-2-hydroxy-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-(5-chloro-2-hydroxyphenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-(5-chloro-2-hydroxyphenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-(5-chloro-2-hydroxy-phenyl)pyrazole-3-carboxamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C21H22ClN3O3/c1-21(2,3)14-4-7-16(8-5-14)28-13-25-11-10-17(24-25)20(27)23-18-12-15(22)6-9-19(18)26/h4-12,26H,13H2,1-3H3,(H,23,27)