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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=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=C(C=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/c1-18-7-9-20(10-8-18)26(33)30-15-13-29(14-16-30)21-11-12-24(32(35)36)25(17-21)31-27(34)23-6-4-3-5-22(23)19(2)28-31/h3-12,17H,13-16H2,1-2H3