[1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-yl]oxy-diphenyl-borane

Systemtic Name: [1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-yl]oxy-diphenyl-borane Openeye Name: [1-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)propoxy]-diphenyl-borane CAS Name: [1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-yl]oxy-diphenylborane IUPAC Name: [1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-yl]oxy-diphenylborane Traditional Name: [1-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)propoxy]-diphenyl-borane Formula: C28H31BClN3O MolecularWeight: 471.82924

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1)(C2=CC=CC=C2)OC(CCC3=CC=C(C=C3)Cl)(CN4C=NC=N4)C(C)(C)C

Isomeric SMILES

B(C1=CC=CC=C1)(C2=CC=CC=C2)OC(CCC3=CC=C(C=C3)Cl)(CN4C=NC=N4)C(C)(C)C

InChI

InChI=1S/C28H31BClN3O/c1-27(2,3)28(20-33-22-31-21-32-33,19-18-23-14-16-26(30)17-15-23)34-29(24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-17,21-22H,18-20H2,1-3H3