4-[1,3-bis(oxidanyl)propan-2-ylamino]-5-methyl-6-(4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one

Systemtic Name: 4-[1,3-bis(oxidanyl)propan-2-ylamino]-5-methyl-6-(4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one Openeye Name: 4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-2-isobutyl-5-methyl-6-(p-tolyl)pyridazin-3-one CAS Name: 4-(1,3-dihydroxypropan-2-ylamino)-5-methyl-6-(4-methylphenyl)-2-(2-methylpropyl)-3-pyridazinone IUPAC Name: 4-(1,3-dihydroxypropan-2-ylamino)-5-methyl-6-(4-methylphenyl)-2-(2-methylpropyl)pyridazin-3-one Traditional Name: 4-[(2-hydroxy-1-methylol-ethyl)amino]-2-isobutyl-5-methyl-6-(p-tolyl)pyridazin-3-one Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C(=C2C)NC(CO)CO)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C(=C2C)NC(CO)CO)CC(C)C

InChI

InChI=1S/C19H27N3O3/c1-12(2)9-22-19(25)18(20-16(10-23)11-24)14(4)17(21-22)15-7-5-13(3)6-8-15/h5-8,12,16,20,23-24H,9-11H2,1-4H3