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

Systemtic Name: N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-phenoxy-benzamide Openeye Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-phenoxy-benzamide CAS Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-phenoxybenzamide IUPAC Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-phenoxybenzamide Traditional Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-4-phenoxy-benzamide Formula: C26H18IN3O2 MolecularWeight: 531.34449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N=C5N1C=C(C=C5)I

Isomeric SMILES

C1C2=CC=CC=C2C(=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)N=C5N1C=C(C=C5)I

InChI

InChI=1S/C26H18IN3O2/c27-20-12-15-24-28-25(23-9-5-4-6-19(23)16-30(24)17-20)29-26(31)18-10-13-22(14-11-18)32-21-7-2-1-3-8-21/h1-15,17H,16H2