6-(3-fluoranyl-4-methoxy-phenyl)-2-(2-methylpropyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one

Systemtic Name: 6-(3-fluoranyl-4-methoxy-phenyl)-2-(2-methylpropyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one Openeye Name: 6-(3-fluoro-4-methoxy-phenyl)-2-isobutyl-4-(piperazin-1-ylmethyl)pyridazin-3-one CAS Name: 6-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-4-(1-piperazinylmethyl)-3-pyridazinone IUPAC Name: 6-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one Traditional Name: 6-(3-fluoro-4-methoxy-phenyl)-2-isobutyl-4-(piperazinomethyl)pyridazin-3-one Formula: C20H27FN4O2 MolecularWeight: 374.452383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC(=C(C=C2)OC)F)CN3CCNCC3

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC(=C(C=C2)OC)F)CN3CCNCC3

InChI

InChI=1S/C20H27FN4O2/c1-14(2)12-25-20(26)16(13-24-8-6-22-7-9-24)11-18(23-25)15-4-5-19(27-3)17(21)10-15/h4-5,10-11,14,22H,6-9,12-13H2,1-3H3