2-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione Openeye Name: 2-[5-[4-(o-tolyl)piperazin-1-yl]pentyl]isoindoline-1,3-dione CAS Name: 2-[5-[4-(2-methylphenyl)-1-piperazinyl]pentyl]isoindole-1,3-dione IUPAC Name: 2-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione Traditional Name: 2-[5-[4-(o-tolyl)piperazino]pentyl]isoindoline-1,3-quinone Formula: C24H29N3O2 MolecularWeight: 391.50596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H29N3O2/c1-19-9-3-6-12-22(19)26-17-15-25(16-18-26)13-7-2-8-14-27-23(28)20-10-4-5-11-21(20)24(27)29/h3-6,9-12H,2,7-8,13-18H2,1H3