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

Systemtic Name: 3-[[3-[(4-ethanoyl-1,4-diazepan-1-yl)carbonyl]-4-fluoranyl-phenyl]methyl]-5-ethyl-1H-pyridazin-6-one Openeye Name: 3-[[3-(4-acetyl-1,4-diazepane-1-carbonyl)-4-fluoro-phenyl]methyl]-5-ethyl-1H-pyridazin-6-one CAS Name: 3-[[3-[(4-acetyl-1,4-diazepan-1-yl)-oxomethyl]-4-fluorophenyl]methyl]-5-ethyl-1H-pyridazin-6-one IUPAC Name: 3-[[3-(4-acetyl-1,4-diazepane-1-carbonyl)-4-fluorophenyl]methyl]-5-ethyl-1H-pyridazin-6-one Traditional Name: 3-[3-(4-acetyl-1,4-diazepane-1-carbonyl)-4-fluoro-benzyl]-5-ethyl-1H-pyridazin-6-one Formula: C21H25FN4O3 MolecularWeight: 400.446603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN4O3/c1-3-16-13-17(23-24-20(16)28)11-15-5-6-19(22)18(12-15)21(29)26-8-4-7-25(9-10-26)14(2)27/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,24,28)