6-(4-bromophenyl)-2-[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butyl]pyridazin-3-one

Systemtic Name: 6-(4-bromophenyl)-2-[4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butyl]pyridazin-3-one Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)-4-oxo-butyl]-6-(4-bromophenyl)pyridazin-3-one CAS Name: 2-[4-(4-acetyl-1-piperazinyl)-4-oxobutyl]-6-(4-bromophenyl)-3-pyridazinone IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]-6-(4-bromophenyl)pyridazin-3-one Traditional Name: 2-[4-(4-acetylpiperazino)-4-keto-butyl]-6-(4-bromophenyl)pyridazin-3-one Formula: C20H23BrN4O3 MolecularWeight: 447.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C=CC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN4O3/c1-15(26)23-11-13-24(14-12-23)19(27)3-2-10-25-20(28)9-8-18(22-25)16-4-6-17(21)7-5-16/h4-9H,2-3,10-14H2,1H3