4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carboxamide Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carboxamide CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-N-(3-chloro-4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carboxamide Formula: C22H19ClFN5O3 MolecularWeight: 455.869363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C22H19ClFN5O3/c23-16-12-15(2-3-17(16)24)25-22(30)29-9-7-28(8-10-29)21-6-4-18(26-27-21)14-1-5-19-20(11-14)32-13-31-19/h1-6,11-12H,7-10,13H2,(H,25,30)