3-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-[4-(5-bromo-2-pyridyl)piperazino]-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C19H18BrN5O3 MolecularWeight: 444.28192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C19H18BrN5O3/c20-13-5-6-16(21-11-13)23-7-9-24(10-8-23)17(26)12-25-19(28)15-4-2-1-3-14(15)18(27)22-25/h1-6,11H,7-10,12H2,(H,22,27)