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

Systemtic Name: 2-[5-[4-(3-bromophenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[5-[4-(3-bromobenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[5-[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[5-[4-(3-bromobenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[5-[4-(3-bromobenzoyl)piperazino]-2-nitro-phenyl]-4-(p-tolyl)phthalazin-1-one Formula: C32H26BrN5O4 MolecularWeight: 624.48394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC(=CC=C6)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCN(CC5)C(=O)C6=CC(=CC=C6)Br)[N+](=O)[O-]

InChI

InChI=1S/C32H26BrN5O4/c1-21-9-11-22(12-10-21)30-26-7-2-3-8-27(26)32(40)37(34-30)29-20-25(13-14-28(29)38(41)42)35-15-17-36(18-16-35)31(39)23-5-4-6-24(33)19-23/h2-14,19-20H,15-18H2,1H3