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

Systemtic Name: 6-[4-[[4-fluoranyl-2-(trifluoromethyl)phenyl]amino]piperidin-1-yl]-N-pentyl-pyridazine-3-carboxamide Openeye Name: 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]-1-piperidyl]-N-pentyl-pyridazine-3-carboxamide CAS Name: 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]-1-piperidinyl]-N-pentyl-3-pyridazinecarboxamide IUPAC Name: 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]-N-pentylpyridazine-3-carboxamide Traditional Name: N-amyl-6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidino]pyridazine-3-carboxamide Formula: C22H27F4N5O MolecularWeight: 453.476293

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=NN=C(C=C1)N2CCC(CC2)NC3=C(C=C(C=C3)F)C(F)(F)F

Isomeric SMILES

CCCCCNC(=O)C1=NN=C(C=C1)N2CCC(CC2)NC3=C(C=C(C=C3)F)C(F)(F)F

InChI

InChI=1S/C22H27F4N5O/c1-2-3-4-11-27-21(32)19-7-8-20(30-29-19)31-12-9-16(10-13-31)28-18-6-5-15(23)14-17(18)22(24,25)26/h5-8,14,16,28H,2-4,9-13H2,1H3,(H,27,32)