N-(4-bromanyl-3-chloranyl-phenyl)-5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxamide

Systemtic Name: N-(4-bromanyl-3-chloranyl-phenyl)-5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: 2-benzyl-N-(4-bromo-3-chloro-phenyl)-5-tert-butyl-pyrazole-3-carboxamide CAS Name: N-(4-bromo-3-chlorophenyl)-5-tert-butyl-2-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: 2-benzyl-N-(4-bromo-3-chlorophenyl)-5-tert-butylpyrazole-3-carboxamide Traditional Name: 2-benzyl-N-(4-bromo-3-chloro-phenyl)-5-tert-butyl-pyrazole-3-carboxamide Formula: C21H21BrClN3O MolecularWeight: 446.76794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)Br)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)Br)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H21BrClN3O/c1-21(2,3)19-12-18(26(25-19)13-14-7-5-4-6-8-14)20(27)24-15-9-10-16(22)17(23)11-15/h4-12H,13H2,1-3H3,(H,24,27)