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

Systemtic Name: 5-ethyl-3-[[4-fluoranyl-3-(4-pyridin-4-ylpiperidin-1-yl)carbonyl-phenyl]methyl]-1H-pyridazin-6-one Openeye Name: 5-ethyl-3-[[4-fluoro-3-[4-(4-pyridyl)piperidine-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one CAS Name: 5-ethyl-3-[[4-fluoro-3-[oxo-(4-pyridin-4-yl-1-piperidinyl)methyl]phenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 5-ethyl-3-[[4-fluoro-3-(4-pyridin-4-ylpiperidine-1-carbonyl)phenyl]methyl]-1H-pyridazin-6-one Traditional Name: 5-ethyl-3-[4-fluoro-3-[4-(4-pyridyl)piperidine-1-carbonyl]benzyl]-1H-pyridazin-6-one Formula: C24H25FN4O2 MolecularWeight: 420.479303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NNC1=O)CC2=CC(=C(C=C2)F)C(=O)N3CCC(CC3)C4=CC=NC=C4

Isomeric SMILES

CCC1=CC(=NNC1=O)CC2=CC(=C(C=C2)F)C(=O)N3CCC(CC3)C4=CC=NC=C4

InChI

InChI=1S/C24H25FN4O2/c1-2-17-15-20(27-28-23(17)30)13-16-3-4-22(25)21(14-16)24(31)29-11-7-19(8-12-29)18-5-9-26-10-6-18/h3-6,9-10,14-15,19H,2,7-8,11-13H2,1H3,(H,28,30)