6-[4-[4-(1-benzothiophen-7-yl)piperazin-1-yl]butyl]-2,3-dihydroisoindol-1-one

Systemtic Name: 6-[4-[4-(1-benzothiophen-7-yl)piperazin-1-yl]butyl]-2,3-dihydroisoindol-1-one Openeye Name: 6-[4-[4-(benzothiophen-7-yl)piperazin-1-yl]butyl]isoindolin-1-one CAS Name: 6-[4-[4-(1-benzothiophen-7-yl)-1-piperazinyl]butyl]-2,3-dihydroisoindol-1-one IUPAC Name: 6-[4-[4-(1-benzothiophen-7-yl)piperazin-1-yl]butyl]-2,3-dihydroisoindol-1-one Traditional Name: 6-[4-[4-(benzothiophen-7-yl)piperazino]butyl]isoindolin-1-one Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC3=C(CNC3=O)C=C2)C4=CC=CC5=C4SC=C5

Isomeric SMILES

C1CN(CCN1CCCCC2=CC3=C(CNC3=O)C=C2)C4=CC=CC5=C4SC=C5

InChI

InChI=1S/C24H27N3OS/c28-24-21-16-18(7-8-20(21)17-25-24)4-1-2-10-26-11-13-27(14-12-26)22-6-3-5-19-9-15-29-23(19)22/h3,5-9,15-16H,1-2,4,10-14,17H2,(H,25,28)