4-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-(4-isobutyrylpiperazino)-2-keto-ethyl]-2H-phthalazin-1-one Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H22N4O3/c1-12(2)18(25)22-9-7-21(8-10-22)16(23)11-15-13-5-3-4-6-14(13)17(24)20-19-15/h3-6,12H,7-11H2,1-2H3,(H,20,24)