3,4,4,5,5,6-hexakis(phenylmethyl)-8-azabicyclo[4.2.0]octan-7-one

Systemtic Name: 3,4,4,5,5,6-hexakis(phenylmethyl)-8-azabicyclo[4.2.0]octan-7-one Openeye Name: 3,4,4,5,5,6-hexabenzyl-8-azabicyclo[4.2.0]octan-7-one CAS Name: 3,4,4,5,5,6-hexakis(phenylmethyl)-8-azabicyclo[4.2.0]octan-7-one IUPAC Name: 3,4,4,5,5,6-hexabenzyl-8-azabicyclo[4.2.0]octan-7-one Traditional Name: 3,4,4,5,5,6-hexabenzyl-8-azabicyclo[4.2.0]octan-7-one Formula: C49H47NO MolecularWeight: 665.90358

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C2(C1NC2=O)CC3=CC=CC=C3)(CC4=CC=CC=C4)CC5=CC=CC=C5)(CC6=CC=CC=C6)CC7=CC=CC=C7)CC8=CC=CC=C8

Isomeric SMILES

C1C(C(C(C2(C1NC2=O)CC3=CC=CC=C3)(CC4=CC=CC=C4)CC5=CC=CC=C5)(CC6=CC=CC=C6)CC7=CC=CC=C7)CC8=CC=CC=C8

InChI

InChI=1S/C49H47NO/c51-46-49(37-43-29-17-6-18-30-43)45(50-46)32-44(31-38-19-7-1-8-20-38)47(33-39-21-9-2-10-22-39,34-40-23-11-3-12-24-40)48(49,35-41-25-13-4-14-26-41)36-42-27-15-5-16-28-42/h1-30,44-45H,31-37H2,(H,50,51)