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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC(CN3C(=O)C4=CC=CC=C4C3=O)O.Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC(CN3C(=O)C4=CC=CC=C4C3=O)O.Cl

InChI

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