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

Systemtic Name: 4-(4-chlorophenyl)-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-(4-chlorophenyl)phthalazin-1-one CAS Name: 2-[5-(4-benzoyl-1-piperazinyl)-2-nitrophenyl]-4-(4-chlorophenyl)-1-phthalazinone IUPAC Name: 2-[5-(4-benzoylpiperazin-1-yl)-2-nitrophenyl]-4-(4-chlorophenyl)phthalazin-1-one Traditional Name: 2-[5-(4-benzoylpiperazino)-2-nitro-phenyl]-4-(4-chlorophenyl)phthalazin-1-one Formula: C31H24ClN5O4 MolecularWeight: 566.00636

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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=C(C=C5)Cl)C(=O)C6=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C31H24ClN5O4/c32-23-12-10-21(11-13-23)29-25-8-4-5-9-26(25)31(39)36(33-29)28-20-24(14-15-27(28)37(40)41)34-16-18-35(19-17-34)30(38)22-6-2-1-3-7-22/h1-15,20H,16-19H2