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

Systemtic Name: [3-(4-dimethylaminophenyl)-1-(triphenylmethyl)pyrazol-4-yl]boronic acid Openeye Name: [3-(4-dimethylaminophenyl)-1-trityl-pyrazol-4-yl]boronic acid CAS Name: [3-(4-dimethylaminophenyl)-1-(triphenylmethyl)-4-pyrazolyl]boronic acid IUPAC Name: [3-(4-dimethylaminophenyl)-1-tritylpyrazol-4-yl]boronic acid Traditional Name: [3-(4-dimethylaminophenyl)-1-trityl-pyrazol-4-yl]boronic acid Formula: C30H28BN3O2 MolecularWeight: 473.37322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H28BN3O2/c1-33(2)27-20-18-23(19-21-27)29-28(31(35)36)22-34(32-29)30(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-22,35-36H,1-2H3