5-[4-(5-bromanyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one

Systemtic Name: 5-[4-(5-bromanyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(5-bromo-2-fluoro-benzoyl)piperazin-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(5-bromo-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-(5-bromo-2-fluoro-benzoyl)piperazino]-4-chloro-2-phenyl-pyridazin-3-one Formula: C21H17BrClFN4O2 MolecularWeight: 491.740683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C4=C(C=CC(=C4)Br)F

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C21H17BrClFN4O2/c22-14-6-7-17(24)16(12-14)20(29)27-10-8-26(9-11-27)18-13-25-28(21(30)19(18)23)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2