2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 4-methyl-2-[2-nitro-5-(4-pivaloylpiperazino)phenyl]phthalazin-1-one Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O4/c1-16-18-7-5-6-8-19(18)22(30)28(25-16)21-15-17(9-10-20(21)29(32)33)26-11-13-27(14-12-26)23(31)24(2,3)4/h5-10,15H,11-14H2,1-4H3