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

Systemtic Name: 6-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-4-(piperidin-1-ylmethyl)pyridazin-3-one Openeye Name: 6-(4-fluoro-3-methyl-phenyl)-2-isobutyl-4-(1-piperidylmethyl)pyridazin-3-one CAS Name: 6-(4-fluoro-3-methylphenyl)-2-(2-methylpropyl)-4-(1-piperidinylmethyl)-3-pyridazinone IUPAC Name: 6-(4-fluoro-3-methylphenyl)-2-(2-methylpropyl)-4-(piperidin-1-ylmethyl)pyridazin-3-one Traditional Name: 6-(4-fluoro-3-methyl-phenyl)-2-isobutyl-4-(piperidinomethyl)pyridazin-3-one Formula: C21H28FN3O MolecularWeight: 357.464923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCCCC3)CC(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NN(C(=O)C(=C2)CN3CCCCC3)CC(C)C)F

InChI

InChI=1S/C21H28FN3O/c1-15(2)13-25-21(26)18(14-24-9-5-4-6-10-24)12-20(23-25)17-7-8-19(22)16(3)11-17/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3