2-[3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanyl-propyl]isoindole-1,3-dione hydrochloride

Systemtic Name: 2-[3-[4-(2-methylphenyl)piperazin-1-yl]-2-oxidanyl-propyl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[2-hydroxy-3-[4-(o-tolyl)piperazin-1-yl]propyl]isoindoline-1,3-dione hydrochloride CAS Name: 2-[2-hydroxy-3-[4-(2-methylphenyl)-1-piperazinyl]propyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione hydrochloride Traditional Name: 2-[2-hydroxy-3-[4-(o-tolyl)piperazino]propyl]isoindoline-1,3-quinone hydrochloride Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC(CN3C(=O)C4=CC=CC=C4C3=O)O.Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CC(CN3C(=O)C4=CC=CC=C4C3=O)O.Cl

InChI

InChI=1S/C22H25N3O3.ClH/c1-16-6-2-5-9-20(16)24-12-10-23(11-13-24)14-17(26)15-25-21(27)18-7-3-4-8-19(18)22(25)28;/h2-9,17,26H,10-15H2,1H3;1H