21,23-diazabicyclo[40.4.0]hexatetraconta-1(46),42,44-trien-22-one

Systemtic Name: 21,23-diazabicyclo[40.4.0]hexatetraconta-1(46),42,44-trien-22-one Openeye Name: 21,23-diazabicyclo[40.4.0]hexatetraconta-1(46),42,44-trien-22-one CAS Name: 21,23-diazabicyclo[40.4.0]hexatetraconta-1(46),42,44-trien-22-one IUPAC Name: 21,23-diazabicyclo[40.4.0]hexatetraconta-1(46),42,44-trien-22-one Traditional Name: 21,23-diazabicyclo[40.4.0]hexatetraconta-1(46),42,44-trien-22-one Formula: C44H80N2O MolecularWeight: 653.1188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCCCCCC2=CC=CC=C2CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCCCCC1

Isomeric SMILES

C1CCCCCCCCCC2=CC=CC=C2CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCCCCC1

InChI

InChI=1S/C44H80N2O/c47-44-45-40-34-28-24-20-16-12-8-4-1-2-6-10-14-18-22-26-30-36-42-38-32-33-39-43(42)37-31-27-23-19-15-11-7-3-5-9-13-17-21-25-29-35-41-46-44/h32-33,38-39H,1-31,34-37,40-41H2,(H2,45,46,47)