3,5-ditert-butyl-N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide

Systemtic Name: 3,5-ditert-butyl-N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Openeye Name: 3,5-ditert-butyl-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide CAS Name: 3,5-ditert-butyl-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide IUPAC Name: 3,5-ditert-butyl-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Traditional Name: 3,5-ditert-butyl-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Formula: C28H30IN3O MolecularWeight: 551.46177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)I)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)I)C(C)(C)C

InChI

InChI=1S/C28H30IN3O/c1-27(2,3)20-13-19(14-21(15-20)28(4,5)6)26(33)31-25-23-10-8-7-9-18(23)16-32-17-22(29)11-12-24(32)30-25/h7-15,17H,16H2,1-6H3