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

Systemtic Name: N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide Openeye Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide CAS Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide IUPAC Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)propanamide Traditional Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)propionamide Formula: C16H14IN3O MolecularWeight: 391.20633

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N=C1C2=CC=CC=C2CN3C=C(C=CC3=N1)I

Isomeric SMILES

CCC(=O)N=C1C2=CC=CC=C2CN3C=C(C=CC3=N1)I

InChI

InChI=1S/C16H14IN3O/c1-2-15(21)19-16-13-6-4-3-5-11(13)9-20-10-12(17)7-8-14(20)18-16/h3-8,10H,2,9H2,1H3