(6R,6aS)-6-[2,6-bis(chloranyl)phenyl]-2-(phenylcarbonyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R,6aS)-6-[2,6-bis(chloranyl)phenyl]-2-(phenylcarbonyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aS)-2-benzoyl-6-(2,6-dichlorophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aS)-2-benzoyl-6-(2,6-dichlorophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aS)-2-benzoyl-6-(2,6-dichlorophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aS)-2-benzoyl-6-(2,6-dichlorophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C26H20Cl2N2O2 MolecularWeight: 463.3552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2C(NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=C1)C5=C(C=CC=C5Cl)Cl

Isomeric SMILES

C1CC(=O)[C@H]2[C@@H](NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=C1)C5=C(C=CC=C5Cl)Cl

InChI

InChI=1S/C26H20Cl2N2O2/c27-17-8-4-9-18(28)23(17)25-24-20(10-5-11-22(24)31)29-21-14-16(12-13-19(21)30-25)26(32)15-6-2-1-3-7-15/h1-4,6-10,12-14,24-25,29-30H,5,11H2/t24-,25-/m0/s1