1-(1,3-dihydroisoindol-2-yl)-6-[4-(2-methylphenyl)piperazin-1-yl]hexan-1-one

Systemtic Name: 1-(1,3-dihydroisoindol-2-yl)-6-[4-(2-methylphenyl)piperazin-1-yl]hexan-1-one Openeye Name: 1-isoindolin-2-yl-6-[4-(o-tolyl)piperazin-1-yl]hexan-1-one CAS Name: 1-(1,3-dihydroisoindol-2-yl)-6-[4-(2-methylphenyl)-1-piperazinyl]-1-hexanone IUPAC Name: 1-(1,3-dihydroisoindol-2-yl)-6-[4-(2-methylphenyl)piperazin-1-yl]hexan-1-one Traditional Name: 1-isoindolin-2-yl-6-[4-(o-tolyl)piperazino]hexan-1-one Formula: C25H33N3O MolecularWeight: 391.54902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CCCCCC(=O)N3CC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CCCCCC(=O)N3CC4=CC=CC=C4C3

InChI

InChI=1S/C25H33N3O/c1-21-9-4-7-12-24(21)27-17-15-26(16-18-27)14-8-2-3-13-25(29)28-19-22-10-5-6-11-23(22)20-28/h4-7,9-12H,2-3,8,13-20H2,1H3