methyl 2-[4-[4-bromanyl-1-(triphenylmethyl)pyrazol-3-yl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[4-bromanyl-1-(triphenylmethyl)pyrazol-3-yl]phenyl]benzoate Openeye Name: methyl 2-[4-(4-bromo-1-trityl-pyrazol-3-yl)phenyl]benzoate CAS Name: 2-[4-[4-bromo-1-(triphenylmethyl)-3-pyrazolyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-bromo-1-tritylpyrazol-3-yl)phenyl]benzoate Traditional Name: 2-[4-(4-bromo-1-trityl-pyrazol-3-yl)phenyl]benzoic acid methyl ester Formula: C36H27BrN2O2 MolecularWeight: 599.51578

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)C3=NN(C=C3Br)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)C3=NN(C=C3Br)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H27BrN2O2/c1-41-35(40)32-20-12-11-19-31(32)26-21-23-27(24-22-26)34-33(37)25-39(38-34)36(28-13-5-2-6-14-28,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-25H,1H3