N-(4-bromanyl-2-fluoranyl-phenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]piperazine-1-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-4-[1-(4-fluorophenyl)-6-oxidanylidene-pyridazin-3-yl]piperazine-1-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-4-[1-(4-fluorophenyl)-6-oxo-pyridazin-3-yl]piperazine-1-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-4-[1-(4-fluorophenyl)-6-oxo-3-pyridazinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-4-[1-(4-fluorophenyl)-6-keto-pyridazin-3-yl]piperazine-1-carboxamide Formula: C21H18BrF2N5O2 MolecularWeight: 490.300726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN(C(=O)C=C2)C3=CC=C(C=C3)F)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CN(CCN1C2=NN(C(=O)C=C2)C3=CC=C(C=C3)F)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H18BrF2N5O2/c22-14-1-6-18(17(24)13-14)25-21(31)28-11-9-27(10-12-28)19-7-8-20(30)29(26-19)16-4-2-15(23)3-5-16/h1-8,13H,9-12H2,(H,25,31)