[3-(4-cyanophenyl)-1-(triphenylmethyl)pyrazol-4-yl]boronic acid

Systemtic Name: [3-(4-cyanophenyl)-1-(triphenylmethyl)pyrazol-4-yl]boronic acid Openeye Name: [3-(4-cyanophenyl)-1-trityl-pyrazol-4-yl]boronic acid CAS Name: [3-(4-cyanophenyl)-1-(triphenylmethyl)-4-pyrazolyl]boronic acid IUPAC Name: [3-(4-cyanophenyl)-1-tritylpyrazol-4-yl]boronic acid Traditional Name: [3-(4-cyanophenyl)-1-trityl-pyrazol-4-yl]boronic acid Formula: C29H22BN3O2 MolecularWeight: 455.31488

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CN(N=C1C2=CC=C(C=C2)C#N)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(O)O

Isomeric SMILES

B(C1=CN(N=C1C2=CC=C(C=C2)C#N)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(O)O

InChI

InChI=1S/C29H22BN3O2/c31-20-22-16-18-23(19-17-22)28-27(30(34)35)21-33(32-28)29(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,21,34-35H