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

Systemtic Name: 1-(1,3-dihydroisoindol-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]hexan-1-one Openeye Name: 6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-isoindolin-2-yl-hexan-1-one CAS Name: 1-(1,3-dihydroisoindol-2-yl)-6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-hexanone IUPAC Name: 1-(1,3-dihydroisoindol-2-yl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]hexan-1-one Traditional Name: 6-[4-(2,3-dimethylphenyl)piperazino]-1-isoindolin-2-yl-hexan-1-one Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CCCCCC(=O)N3CC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CCCCCC(=O)N3CC4=CC=CC=C4C3)C

InChI

InChI=1S/C26H35N3O/c1-21-9-8-12-25(22(21)2)28-17-15-27(16-18-28)14-7-3-4-13-26(30)29-19-23-10-5-6-11-24(23)20-29/h5-6,8-12H,3-4,7,13-20H2,1-2H3