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

Systemtic Name: 2-[5-[4-(2-bromophenyl)carbonylpiperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[5-[4-(2-bromobenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one CAS Name: 2-[5-[4-[(2-bromophenyl)-oxomethyl]-1-piperazinyl]-2-nitrophenyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[5-[4-(2-bromobenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one Traditional Name: 2-[5-[4-(2-bromobenzoyl)piperazino]-2-nitro-phenyl]-4-methyl-phthalazin-1-one Formula: C26H22BrN5O4 MolecularWeight: 548.38798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5Br)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5Br)[N+](=O)[O-]

InChI

InChI=1S/C26H22BrN5O4/c1-17-19-6-2-3-7-20(19)26(34)31(28-17)24-16-18(10-11-23(24)32(35)36)29-12-14-30(15-13-29)25(33)21-8-4-5-9-22(21)27/h2-11,16H,12-15H2,1H3