4-(4-fluorophenyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]phthalazin-1-one

Systemtic Name: 4-(4-fluorophenyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-(4-fluorophenyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]phthalazin-1-one CAS Name: 4-(4-fluorophenyl)-2-[5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-(4-fluorophenyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]phthalazin-1-one Traditional Name: 4-(4-fluorophenyl)-2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]phthalazin-1-one Formula: C25H23FN5O3+ MolecularWeight: 460.480223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H22FN5O3/c1-28-12-14-29(15-13-28)19-10-11-22(31(33)34)23(16-19)30-25(32)21-5-3-2-4-20(21)24(27-30)17-6-8-18(26)9-7-17/h2-11,16H,12-15H2,1H3/p+1