11-(7-bromanylheptanoyl)-3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 11-(7-bromanylheptanoyl)-3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 11-(7-bromoheptanoyl)-3-chloro-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 11-(7-bromo-1-oxoheptyl)-3-chloro-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 11-(7-bromoheptanoyl)-3-chloro-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 11-(7-bromoheptanoyl)-3-chloro-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C20H20BrClN2O2 MolecularWeight: 435.742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC3=C(N2C(=O)CCCCCCBr)C=CC(=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC3=C(N2C(=O)CCCCCCBr)C=CC(=C3)Cl

InChI

InChI=1S/C20H20BrClN2O2/c21-12-6-2-1-3-9-19(25)24-17-8-5-4-7-15(17)20(26)23-16-13-14(22)10-11-18(16)24/h4-5,7-8,10-11,13H,1-3,6,9,12H2,(H,23,26)