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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCON3C(=O)C4=CC=CC=C4C3=O.Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCON3C(=O)C4=CC=CC=C4C3=O.Cl

InChI

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