3-[2-oxidanylidene-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-oxo-2-[4-(2-pyrazinyl)-1-piperazinyl]ethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-keto-2-(4-pyrazin-2-ylpiperazino)ethyl]-2H-phthalazine-1,4-quinone Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O3/c25-16(23-9-7-22(8-10-23)15-11-19-5-6-20-15)12-24-18(27)14-4-2-1-3-13(14)17(26)21-24/h1-6,11H,7-10,12H2,(H,21,26)