3-(2-pyridin-2-ylethyl)-2H-phthalazine-1,4-dione bromide

Systemtic Name: 3-(2-pyridin-2-ylethyl)-2H-phthalazine-1,4-dione bromide Openeye Name: 3-[2-(2-pyridyl)ethyl]-2H-phthalazine-1,4-dione bromide CAS Name: 3-[2-(2-pyridinyl)ethyl]-2H-phthalazine-1,4-dione bromide IUPAC Name: 3-(2-pyridin-2-ylethyl)-2H-phthalazine-1,4-dione bromide Traditional Name: 3-[2-(2-pyridyl)ethyl]-2H-phthalazine-1,4-quinone bromide Formula: C15H13BrN3O2- MolecularWeight: 347.18662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC3=CC=CC=N3.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC3=CC=CC=N3.[Br-]

InChI

InChI=1S/C15H13N3O2.BrH/c19-14-12-6-1-2-7-13(12)15(20)18(17-14)10-8-11-5-3-4-9-16-11;/h1-7,9H,8,10H2,(H,17,19);1H/p-1