4-methyl-2-[5-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[5-[4-(3-methylphenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-methyl-2-[5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one CAS Name: 4-methyl-2-[5-[4-[(3-methylphenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one Traditional Name: 4-methyl-2-[5-(4-m-toluoylpiperazino)-2-nitro-phenyl]phthalazin-1-one Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C

InChI

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