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

Systemtic Name: 2-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione hydrochloride Openeye Name: 2-[3-[4-(o-tolyl)piperazin-1-yl]-3-oxo-propyl]isoindoline-1,3-dione hydrochloride CAS Name: 2-[3-[4-(2-methylphenyl)-1-piperazinyl]-3-oxopropyl]isoindole-1,3-dione hydrochloride IUPAC Name: 2-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione hydrochloride Traditional Name: 2-[3-keto-3-[4-(o-tolyl)piperazino]propyl]isoindoline-1,3-quinone hydrochloride Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O.Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O.Cl

InChI

InChI=1S/C22H23N3O3.ClH/c1-16-6-2-5-9-19(16)23-12-14-24(15-13-23)20(26)10-11-25-21(27)17-7-3-4-8-18(17)22(25)28;/h2-9H,10-15H2,1H3;1H