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

Systemtic Name: 6-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride Openeye Name: 6-(4-fluoro-3-methyl-phenyl)-2-isobutyl-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride CAS Name: 6-(4-fluoro-3-methylphenyl)-2-(2-methylpropyl)-4-(1-piperazinylmethyl)-3-pyridazinone dihydrochloride IUPAC Name: 6-(4-fluoro-3-methylphenyl)-2-(2-methylpropyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride Traditional Name: 6-(4-fluoro-3-methyl-phenyl)-2-isobutyl-4-(piperazinomethyl)pyridazin-3-one dihydrochloride Formula: C20H29Cl2FN4O MolecularWeight: 431.374863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCNCC3)CC(C)C)F.Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCNCC3)CC(C)C)F.Cl.Cl

InChI

InChI=1S/C20H27FN4O.2ClH/c1-14(2)12-25-20(26)17(13-24-8-6-22-7-9-24)11-19(23-25)16-4-5-18(21)15(3)10-16;;/h4-5,10-11,14,22H,6-9,12-13H2,1-3H3;2*1H