2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride

Systemtic Name: 2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride Openeye Name: 2-isobutyl-6-(4-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride CAS Name: 2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)-4-(1-piperazinylmethyl)-3-pyridazinone dihydrochloride IUPAC Name: 2-(2-methylpropyl)-6-(4-methylsulfonylphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one dihydrochloride Traditional Name: 2-isobutyl-6-(4-mesylphenyl)-4-(piperazinomethyl)pyridazin-3-one dihydrochloride Formula: C20H30Cl2N4O3S MolecularWeight: 477.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)S(=O)(=O)C)CN3CCNCC3.Cl.Cl

Isomeric SMILES

CC(C)CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)S(=O)(=O)C)CN3CCNCC3.Cl.Cl

InChI

InChI=1S/C20H28N4O3S.2ClH/c1-15(2)13-24-20(25)17(14-23-10-8-21-9-11-23)12-19(22-24)16-4-6-18(7-5-16)28(3,26)27;;/h4-7,12,15,21H,8-11,13-14H2,1-3H3;2*1H