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

Systemtic Name: N-(2-bromanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxy-ethanamide Openeye Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxy-acetamide CAS Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide IUPAC Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxyacetamide Traditional Name: N-(2-bromo-11H-pyrido[1,2-b][2,4]benzodiazepin-6-ylidene)-2-phenoxy-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)N=C4N1C=C(C=C4)Br

Isomeric SMILES

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

InChI

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