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

Systemtic Name: 2-(1-adamantyl)-N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)ethanamide Openeye Name: 2-(1-adamantyl)-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)acetamide CAS Name: 2-(1-adamantyl)-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)acetamide IUPAC Name: 2-(1-adamantyl)-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)acetamide Traditional Name: 2-(1-adamantyl)-N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)acetamide Formula: C25H26IN3O MolecularWeight: 511.39791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26IN3O/c26-20-5-6-22-27-24(21-4-2-1-3-19(21)14-29(22)15-20)28-23(30)13-25-10-16-7-17(11-25)9-18(8-16)12-25/h1-6,15-18H,7-14H2