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

Systemtic Name: 2-[5-[4-(2-bromophenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-(4-chlorophenyl)phthalazin-1-one Openeye Name: 2-[5-[4-(2-bromobenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-(4-chlorophenyl)phthalazin-1-one CAS Name: 2-[5-[4-[(2-bromophenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-(4-chlorophenyl)-1-phthalazinone IUPAC Name: 2-[5-[4-(2-bromobenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-chlorophenyl)phthalazin-1-one Traditional Name: 2-[5-[4-(2-bromobenzoyl)piperazino]-2-nitro-phenyl]-4-(4-chlorophenyl)phthalazin-1-one Formula: C31H23BrClN5O4 MolecularWeight: 644.90242

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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=C6Br

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=C6Br

InChI

InChI=1S/C31H23BrClN5O4/c32-26-8-4-3-7-25(26)30(39)36-17-15-35(16-18-36)22-13-14-27(38(41)42)28(19-22)37-31(40)24-6-2-1-5-23(24)29(34-37)20-9-11-21(33)12-10-20/h1-14,19H,15-18H2