11-[2-[4-(6-bromanylhexoxy)phenyl]ethanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 11-[2-[4-(6-bromanylhexoxy)phenyl]ethanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 11-[2-[4-(6-bromohexoxy)phenyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 11-[2-[4-(6-bromohexoxy)phenyl]-1-oxoethyl]-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 11-[2-[4-(6-bromohexoxy)phenyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 11-[2-[4-(6-bromohexoxy)phenyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C27H27BrN2O3 MolecularWeight: 507.41888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3N2C(=O)CC4=CC=C(C=C4)OCCCCCCBr

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC3=CC=CC=C3N2C(=O)CC4=CC=C(C=C4)OCCCCCCBr

InChI

InChI=1S/C27H27BrN2O3/c28-17-7-1-2-8-18-33-21-15-13-20(14-16-21)19-26(31)30-24-11-5-3-9-22(24)27(32)29-23-10-4-6-12-25(23)30/h3-6,9-16H,1-2,7-8,17-19H2,(H,29,32)