2-methyl-4-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]phthalazin-1-one

Systemtic Name: 2-methyl-4-[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]phthalazin-1-one Openeye Name: 4-[4-(4-benzylpiperazin-1-yl)-3-nitro-phenyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1-phthalazinone IUPAC Name: 4-[4-(4-benzylpiperazin-1-yl)-3-nitrophenyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(4-benzylpiperazino)-3-nitro-phenyl]-2-methyl-phthalazin-1-one Formula: C26H25N5O3 MolecularWeight: 455.5084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O3/c1-28-26(32)22-10-6-5-9-21(22)25(27-28)20-11-12-23(24(17-20)31(33)34)30-15-13-29(14-16-30)18-19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3