3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(3-fluoro-4-methoxy-benzyl)piperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C17H19FN4O3 MolecularWeight: 346.356163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=NNC(=O)C=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3=NNC(=O)C=C3)F

InChI

InChI=1S/C17H19FN4O3/c1-25-15-4-2-12(10-13(15)18)11-21-6-8-22(9-7-21)17(24)14-3-5-16(23)20-19-14/h2-5,10H,6-9,11H2,1H3,(H,20,23)