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

Systemtic Name: N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)adamantane-1-carboxamide Openeye Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)adamantane-1-carboxamide CAS Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-1-adamantanecarboxamide IUPAC Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)adamantane-1-carboxamide Traditional Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)adamantane-1-carboxamide Formula: C24H24IN3O MolecularWeight: 497.37133

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)N=C4C5=CC=CC=C5CN6C=C(C=CC6=N4)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N=C4C5=CC=CC=C5CN6C=C(C=CC6=N4)I

InChI

InChI=1S/C24H24IN3O/c25-19-5-6-21-26-22(20-4-2-1-3-18(20)13-28(21)14-19)27-23(29)24-10-15-7-16(11-24)9-17(8-15)12-24/h1-6,14-17H,7-13H2