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

Systemtic Name: 2-[5-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[5-[4-(2-fluorobenzoyl)piperazino]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Formula: C31H24FN5O4 MolecularWeight: 549.551763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C(=O)C6=CC=CC=C6F

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C(=O)C6=CC=CC=C6F

InChI

InChI=1S/C31H24FN5O4/c32-26-13-7-6-12-25(26)30(38)35-18-16-34(17-19-35)22-14-15-27(37(40)41)28(20-22)36-31(39)24-11-5-4-10-23(24)29(33-36)21-8-2-1-3-9-21/h1-15,20H,16-19H2