N-[2,6-bis(chloranyl)phenyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[2,6-bis(chloranyl)phenyl]-1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2,6-dichlorophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-tert-butylphenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide Formula: C21H21Cl2N3O2 MolecularWeight: 418.31634

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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=C3Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCN2C=CC(=N2)C(=O)NC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O2/c1-21(2,3)14-7-9-15(10-8-14)28-13-26-12-11-18(25-26)20(27)24-19-16(22)5-4-6-17(19)23/h4-12H,13H2,1-3H3,(H,24,27)