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

Systemtic Name: 3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-(4-isobutyrylpiperazino)-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C18H22N4O4/c1-12(2)17(25)21-9-7-20(8-10-21)15(23)11-22-18(26)14-6-4-3-5-13(14)16(24)19-22/h3-6,12H,7-11H2,1-2H3,(H,19,24)