3-cyclohexyl-N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide

Systemtic Name: 3-cyclohexyl-N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide Openeye Name: 3-cyclohexyl-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide CAS Name: 3-cyclohexyl-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide IUPAC Name: 3-cyclohexyl-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide Traditional Name: 3-cyclohexyl-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)propionamide Formula: C22H24IN3O MolecularWeight: 473.34993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)I

Isomeric SMILES

C1CCC(CC1)CCC(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)I

InChI

InChI=1S/C22H24IN3O/c23-18-11-12-20-24-22(19-9-5-4-8-17(19)14-26(20)15-18)25-21(27)13-10-16-6-2-1-3-7-16/h4-5,8-9,11-12,15-16H,1-3,6-7,10,13-14H2