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

Systemtic Name: 2-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-[4-(2-methylpropanoyl)piperazin-1-yl]-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[5-(4-isobutyrylpiperazino)-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Formula: C28H27N5O4 MolecularWeight: 497.54508

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Descriptors Computed from Structure

Canonical SMILES:

CC(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(=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/C28H27N5O4/c1-19(2)27(34)31-16-14-30(15-17-31)21-12-13-24(33(36)37)25(18-21)32-28(35)23-11-7-6-10-22(23)26(29-32)20-8-4-3-5-9-20/h3-13,18-19H,14-17H2,1-2H3