5-ethyl-3-[[4-fluoranyl-3-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]carbonyl-phenyl]methyl]-1H-pyridazin-6-one

Systemtic Name: 5-ethyl-3-[[4-fluoranyl-3-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]carbonyl-phenyl]methyl]-1H-pyridazin-6-one Openeye Name: 5-ethyl-3-[[4-fluoro-3-[3-(2-pyridylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one CAS Name: 5-ethyl-3-[[4-fluoro-3-[oxo-[3-(2-pyridinylmethoxy)-1-piperidinyl]methyl]phenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 5-ethyl-3-[[4-fluoro-3-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one Traditional Name: 5-ethyl-3-[4-fluoro-3-[3-(2-pyridylmethoxy)piperidine-1-carbonyl]benzyl]-1H-pyridazin-6-one Formula: C25H27FN4O3 MolecularWeight: 450.505283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NNC1=O)CC2=CC(=C(C=C2)F)C(=O)N3CCCC(C3)OCC4=CC=CC=N4

Isomeric SMILES

CCC1=CC(=NNC1=O)CC2=CC(=C(C=C2)F)C(=O)N3CCCC(C3)OCC4=CC=CC=N4

InChI

InChI=1S/C25H27FN4O3/c1-2-18-14-20(28-29-24(18)31)12-17-8-9-23(26)22(13-17)25(32)30-11-5-7-21(15-30)33-16-19-6-3-4-10-27-19/h3-4,6,8-10,13-14,21H,2,5,7,11-12,15-16H2,1H3,(H,29,31)