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

Systemtic Name: 6-[4-[[4-fluoranyl-2-(trifluoromethyl)phenyl]amino]piperidin-1-yl]-N-heptyl-pyridazine-3-carboxamide Openeye Name: 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]-1-piperidyl]-N-heptyl-pyridazine-3-carboxamide CAS Name: 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]-1-piperidinyl]-N-heptyl-3-pyridazinecarboxamide IUPAC Name: 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidin-1-yl]-N-heptylpyridazine-3-carboxamide Traditional Name: 6-[4-[4-fluoro-2-(trifluoromethyl)anilino]piperidino]-N-heptyl-pyridazine-3-carboxamide Formula: C24H31F4N5O MolecularWeight: 481.529453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31F4N5O/c1-2-3-4-5-6-13-29-23(34)21-9-10-22(32-31-21)33-14-11-18(12-15-33)30-20-8-7-17(25)16-19(20)24(26,27)28/h7-10,16,18,30H,2-6,11-15H2,1H3,(H,29,34)