N-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-(phenylcarbonyl)benzamide

Systemtic Name: N-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-(phenylcarbonyl)benzamide Openeye Name: 2-benzoyl-N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide CAS Name: 2-benzoyl-N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide IUPAC Name: 2-benzoyl-N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Traditional Name: 2-benzoyl-N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Formula: C27H18BrN3O2 MolecularWeight: 496.35472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4)N=C5N1C=C(C=C5)Br

Isomeric SMILES

C1C2=CC=CC=C2C(=NC(=O)C3=CC=CC=C3C(=O)C4=CC=CC=C4)N=C5N1C=C(C=C5)Br

InChI

InChI=1S/C27H18BrN3O2/c28-20-14-15-24-29-26(21-11-5-4-10-19(21)16-31(24)17-20)30-27(33)23-13-7-6-12-22(23)25(32)18-8-2-1-3-9-18/h1-15,17H,16H2