N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-2-(1-ketophthalazin-2-yl)acetamide Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C=N2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C=N2)Br)OC

InChI

InChI=1S/C20H20BrN3O4/c1-27-17-9-13(16(21)10-18(17)28-2)7-8-22-19(25)12-24-20(26)15-6-4-3-5-14(15)11-23-24/h3-6,9-11H,7-8,12H2,1-2H3,(H,22,25)