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

Systemtic Name: 2-[5-[4-(4-chlorophenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[5-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[5-[4-(4-chlorobenzoyl)piperazino]-2-nitro-phenyl]-4-phenyl-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=CC=C5)C(=O)C6=CC=C(C=C6)Cl

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=C(C=C6)Cl

InChI

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