2-[6-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[6-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]-4-methyl-phthalazin-1-one Openeye Name: 2-[6-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]-4-methyl-phthalazin-1-one CAS Name: 2-[6-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]-3-pyridazinyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[6-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]-4-methylphthalazin-1-one Traditional Name: 2-[6-(4-brosylpiperazino)pyridazin-3-yl]-4-methyl-phthalazin-1-one Formula: C23H21BrN6O3S MolecularWeight: 541.42024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=NN=C(C=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=NN=C(C=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H21BrN6O3S/c1-16-19-4-2-3-5-20(19)23(31)30(27-16)22-11-10-21(25-26-22)28-12-14-29(15-13-28)34(32,33)18-8-6-17(24)7-9-18/h2-11H,12-15H2,1H3