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

Systemtic Name: N-(2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-(3-methoxyphenoxy)ethanamide Openeye Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-(3-methoxyphenoxy)acetamide CAS Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-(3-methoxyphenoxy)acetamide IUPAC Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-(3-methoxyphenoxy)acetamide Traditional Name: N-(2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-(3-methoxyphenoxy)acetamide Formula: C22H18IN3O3 MolecularWeight: 499.30109

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)I

Isomeric SMILES

COC1=CC(=CC=C1)OCC(=O)N=C2C3=CC=CC=C3CN4C=C(C=CC4=N2)I

InChI

InChI=1S/C22H18IN3O3/c1-28-17-6-4-7-18(11-17)29-14-21(27)25-22-19-8-3-2-5-15(19)12-26-13-16(23)9-10-20(26)24-22/h2-11,13H,12,14H2,1H3