2-[6-[4-(2-methylphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione

Systemtic Name: 2-[6-[4-(2-methylphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione Openeye Name: 2-[6-[4-(o-tolyl)piperazin-1-yl]hexyl]isoindoline-1,3-dione CAS Name: 2-[6-[4-(2-methylphenyl)-1-piperazinyl]hexyl]isoindole-1,3-dione IUPAC Name: 2-[6-[4-(2-methylphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione Traditional Name: 2-[6-[4-(o-tolyl)piperazino]hexyl]isoindoline-1,3-quinone Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H31N3O2/c1-20-10-4-7-13-23(20)27-18-16-26(17-19-27)14-8-2-3-9-15-28-24(29)21-11-5-6-12-22(21)25(28)30/h4-7,10-13H,2-3,8-9,14-19H2,1H3