N-[2-[bis(3-chloranyl-4-methyl-phenyl)boranyloxy-phenyl-methyl]pyridin-4-yl]ethanamide

Systemtic Name: N-[2-[bis(3-chloranyl-4-methyl-phenyl)boranyloxy-phenyl-methyl]pyridin-4-yl]ethanamide Openeye Name: N-[2-[bis(3-chloro-4-methyl-phenyl)boranyloxy-phenyl-methyl]-4-pyridyl]acetamide CAS Name: N-[2-[bis(3-chloro-4-methylphenyl)boranyloxy-phenylmethyl]-4-pyridinyl]acetamide IUPAC Name: N-[2-[bis(3-chloro-4-methylphenyl)boranyloxy-phenylmethyl]pyridin-4-yl]acetamide Traditional Name: N-[2-[bis(3-chloro-4-methyl-phenyl)boranyloxy-phenyl-methyl]-4-pyridyl]acetamide Formula: C28H25BCl2N2O2 MolecularWeight: 503.2273

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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)OC(C3=CC=CC=C3)C4=NC=CC(=C4)NC(=O)C

Isomeric SMILES

B(C1=CC(=C(C=C1)C)Cl)(C2=CC(=C(C=C2)C)Cl)OC(C3=CC=CC=C3)C4=NC=CC(=C4)NC(=O)C

InChI

InChI=1S/C28H25BCl2N2O2/c1-18-9-11-22(15-25(18)30)29(23-12-10-19(2)26(31)16-23)35-28(21-7-5-4-6-8-21)27-17-24(13-14-32-27)33-20(3)34/h4-17,28H,1-3H3,(H,32,33,34)