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

Systemtic Name: 3,4,5-triethoxy-N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Openeye Name: 3,4,5-triethoxy-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide CAS Name: 3,4,5-triethoxy-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide IUPAC Name: 3,4,5-triethoxy-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Traditional Name: 3,4,5-triethoxy-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)benzamide Formula: C26H26IN3O4 MolecularWeight: 571.40681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)I

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)I

InChI

InChI=1S/C26H26IN3O4/c1-4-32-21-13-18(14-22(33-5-2)24(21)34-6-3)26(31)29-25-20-10-8-7-9-17(20)15-30-16-19(27)11-12-23(30)28-25/h7-14,16H,4-6,15H2,1-3H3