N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C20H20BrN3O4 MolecularWeight: 446.2945

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C20H20BrN3O4/c1-24-20(26)14-7-5-4-6-13(14)18(23-24)19(25)22-9-8-12-10-16(27-2)17(28-3)11-15(12)21/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)