[(4-acetamidophenyl)-pyridin-2-yl-methyl]-bis(3-chloranyl-4-methyl-phenyl)boron(1-)

Systemtic Name: [(4-acetamidophenyl)-pyridin-2-yl-methyl]-bis(3-chloranyl-4-methyl-phenyl)boron(1-) Openeye Name: [(4-acetamidophenyl)-(2-pyridyl)methyl]-bis(3-chloro-4-methyl-phenyl)boron(1-) CAS Name: [(4-acetamidophenyl)-(2-pyridinyl)methyl]-bis(3-chloro-4-methylphenyl)boron(1-) IUPAC Name: [(4-acetamidophenyl)-pyridin-2-ylmethyl]-bis(3-chloro-4-methylphenyl)boron(1-) Traditional Name: [(4-acetamidophenyl)-(2-pyridyl)methyl]-bis(3-chloro-4-methyl-phenyl)boron(1-) Formula: C28H25BCl2N2O- MolecularWeight: 487.2279

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC(=C(C=C1)C)Cl)(C2=CC(=C(C=C2)C)Cl)C(C3=CC=C(C=C3)NC(=O)C)C4=CC=CC=N4

Isomeric SMILES

[B-](C1=CC(=C(C=C1)C)Cl)(C2=CC(=C(C=C2)C)Cl)C(C3=CC=C(C=C3)NC(=O)C)C4=CC=CC=N4

InChI

InChI=1S/C28H25BCl2N2O/c1-18-7-11-22(16-25(18)30)29(23-12-8-19(2)26(31)17-23)28(27-6-4-5-15-32-27)21-9-13-24(14-10-21)33-20(3)34/h4-17,28H,1-3H3,(H,33,34)/q-1