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

Systemtic Name: 2-(3-bromanylphenoxy)-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)ethanamide Openeye Name: 2-(3-bromophenoxy)-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)acetamide CAS Name: 2-(3-bromophenoxy)-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)acetamide IUPAC Name: 2-(3-bromophenoxy)-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)acetamide Traditional Name: 2-(3-bromophenoxy)-N-(11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)acetamide Formula: C21H16BrN3O2 MolecularWeight: 422.27464

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC(=O)COC3=CC(=CC=C3)Br)N=C4N1C=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(=NC(=O)COC3=CC(=CC=C3)Br)N=C4N1C=CC=C4

InChI

InChI=1S/C21H16BrN3O2/c22-16-7-5-8-17(12-16)27-14-20(26)24-21-18-9-2-1-6-15(18)13-25-11-4-3-10-19(25)23-21/h1-12H,13-14H2