N-[4-bromanyl-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-chloranyl-benzamide

Systemtic Name: N-[4-bromanyl-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-chloranyl-benzamide Openeye Name: N-[4-bromo-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-chloro-benzamide CAS Name: N-[4-bromo-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-chlorobenzamide IUPAC Name: N-[4-bromo-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-chlorobenzamide Traditional Name: N-[4-bromo-5-(4-tert-butylphenyl)-1H-pyrazol-3-yl]-2-chloro-benzamide Formula: C20H19BrClN3O MolecularWeight: 432.74136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NN2)NC(=O)C3=CC=CC=C3Cl)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=NN2)NC(=O)C3=CC=CC=C3Cl)Br

InChI

InChI=1S/C20H19BrClN3O/c1-20(2,3)13-10-8-12(9-11-13)17-16(21)18(25-24-17)23-19(26)14-6-4-5-7-15(14)22/h4-11H,1-3H3,(H2,23,24,25,26)