tert-butyl 5-(3-bromophenyl)-3-phenyl-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 5-(3-bromophenyl)-3-phenyl-pyrazole-1-carboxylate Openeye Name: tert-butyl 5-(3-bromophenyl)-3-phenyl-pyrazole-1-carboxylate CAS Name: 5-(3-bromophenyl)-3-phenyl-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(3-bromophenyl)-3-phenylpyrazole-1-carboxylate Traditional Name: 5-(3-bromophenyl)-3-phenyl-pyrazole-1-carboxylic acid tert-butyl ester Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H19BrN2O2/c1-20(2,3)25-19(24)23-18(15-10-7-11-16(21)12-15)13-17(22-23)14-8-5-4-6-9-14/h4-13H,1-3H3