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

Systemtic Name: 4-methyl-2-[2-nitro-5-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]phthalazin-1-one Openeye Name: 2-[5-(4-benzoylpiperazin-1-yl)-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-(4-benzoyl-1-piperazinyl)-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-(4-benzoylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-(4-benzoylpiperazino)-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C26H23N5O4 MolecularWeight: 469.49192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O4/c1-18-21-9-5-6-10-22(21)26(33)30(27-18)24-17-20(11-12-23(24)31(34)35)28-13-15-29(16-14-28)25(32)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3