2-methyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-methyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-methyl-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-methyl-4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 4-(4-isobutyrylpiperazine-1-carbonyl)-2-methyl-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)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C18H22N4O3/c1-12(2)16(23)21-8-10-22(11-9-21)18(25)15-13-6-4-5-7-14(13)17(24)20(3)19-15/h4-7,12H,8-11H2,1-3H3