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

Systemtic Name: 2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-nitro-5-(4-pivaloylpiperazino)phenyl]-4-phenyl-phthalazin-1-one Formula: C29H29N5O4 MolecularWeight: 511.57166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C29H29N5O4/c1-29(2,3)28(36)32-17-15-31(16-18-32)21-13-14-24(34(37)38)25(19-21)33-27(35)23-12-8-7-11-22(23)26(30-33)20-9-5-4-6-10-20/h4-14,19H,15-18H2,1-3H3