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

Systemtic Name: 5-ethyl-3-[[4-fluoranyl-3-[(4-pyridin-2-yl-1,4-diazepan-1-yl)carbonyl]phenyl]methyl]-1H-pyridazin-6-one Openeye Name: 5-ethyl-3-[[4-fluoro-3-[4-(2-pyridyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]-1H-pyridazin-6-one CAS Name: 5-ethyl-3-[[4-fluoro-3-[oxo-[4-(2-pyridinyl)-1,4-diazepan-1-yl]methyl]phenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 5-ethyl-3-[[4-fluoro-3-(4-pyridin-2-yl-1,4-diazepane-1-carbonyl)phenyl]methyl]-1H-pyridazin-6-one Traditional Name: 5-ethyl-3-[4-fluoro-3-[4-(2-pyridyl)-1,4-diazepane-1-carbonyl]benzyl]-1H-pyridazin-6-one Formula: C24H26FN5O2 MolecularWeight: 435.493943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NNC1=O)CC2=CC(=C(C=C2)F)C(=O)N3CCCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCC1=CC(=NNC1=O)CC2=CC(=C(C=C2)F)C(=O)N3CCCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H26FN5O2/c1-2-18-16-19(27-28-23(18)31)14-17-7-8-21(25)20(15-17)24(32)30-11-5-10-29(12-13-30)22-6-3-4-9-26-22/h3-4,6-9,15-16H,2,5,10-14H2,1H3,(H,28,31)