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

Systemtic Name: 4-butoxy-N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Openeye Name: 4-butoxy-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide CAS Name: 4-butoxy-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide IUPAC Name: 4-butoxy-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Traditional Name: 4-butoxy-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Formula: C24H22IN3O2 MolecularWeight: 511.35485

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)I

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)I

InChI

InChI=1S/C24H22IN3O2/c1-2-3-14-30-20-11-8-17(9-12-20)24(29)27-23-21-7-5-4-6-18(21)15-28-16-19(25)10-13-22(28)26-23/h4-13,16H,2-3,14-15H2,1H3