4-methyl-2-[5-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[5-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-methyl-2-[5-[4-(2-methylbenzoyl)piperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one CAS Name: 4-methyl-2-[5-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[5-[4-(2-methylbenzoyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one Traditional Name: 4-methyl-2-[2-nitro-5-(4-o-toluoylpiperazino)phenyl]phthalazin-1-one Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C

InChI

InChI=1S/C27H25N5O4/c1-18-7-3-4-8-21(18)26(33)30-15-13-29(14-16-30)20-11-12-24(32(35)36)25(17-20)31-27(34)23-10-6-5-9-22(23)19(2)28-31/h3-12,17H,13-16H2,1-2H3