6-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]-N-pentyl-pyridazine-3-carboxamide

Systemtic Name: 6-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]-N-pentyl-pyridazine-3-carboxamide Openeye Name: 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentyl-pyridazine-3-carboxamide CAS Name: 6-[4-[[5-fluoro-2-(trifluoromethyl)phenyl]-oxomethyl]-1-piperazinyl]-N-pentyl-3-pyridazinecarboxamide IUPAC Name: 6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-pentylpyridazine-3-carboxamide Traditional Name: N-amyl-6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazino]pyridazine-3-carboxamide Formula: C22H25F4N5O2 MolecularWeight: 467.459813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)F)C(F)(F)F

Isomeric SMILES

CCCCCNC(=O)C1=NN=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)F)C(F)(F)F

InChI

InChI=1S/C22H25F4N5O2/c1-2-3-4-9-27-20(32)18-7-8-19(29-28-18)30-10-12-31(13-11-30)21(33)16-14-15(23)5-6-17(16)22(24,25)26/h5-8,14H,2-4,9-13H2,1H3,(H,27,32)