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

Systemtic Name: 4-[4-(2-methylpropanoyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-(4-isobutyrylpiperazine-1-carbonyl)phthalazin-1-one Formula: C24H26N4O3 MolecularWeight: 418.48824

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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)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-17(2)22(29)26-12-14-27(15-13-26)24(31)21-19-10-6-7-11-20(19)23(30)28(25-21)16-18-8-4-3-5-9-18/h3-11,17H,12-16H2,1-2H3