4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(2-chloranyl-6-fluoranyl-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(2-chloranyl-6-fluoranyl-phenyl)piperazine-1-carboxamide Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(2-chloro-6-fluoro-phenyl)piperazine-1-carboxamide CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-N-(2-chloro-6-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(2-chloro-6-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(2-chloro-6-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=C(C=CC=C5Cl)F

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)NC5=C(C=CC=C5Cl)F

InChI

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