2-[5-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[5-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[5-[4-(3-fluorobenzoyl)piperazino]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Formula: C31H24FN5O4 MolecularWeight: 549.551763

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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=C6)F

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=C6)F

InChI

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