6-[4-[4-(5-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]butyl]-2,3-dihydroisoindol-1-one

Systemtic Name: 6-[4-[4-(5-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]butyl]-2,3-dihydroisoindol-1-one Openeye Name: 6-[4-[4-(5-fluorobenzothiophen-3-yl)piperazin-1-yl]butyl]isoindolin-1-one CAS Name: 6-[4-[4-(5-fluoro-1-benzothiophen-3-yl)-1-piperazinyl]butyl]-2,3-dihydroisoindol-1-one IUPAC Name: 6-[4-[4-(5-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]butyl]-2,3-dihydroisoindol-1-one Traditional Name: 6-[4-[4-(5-fluorobenzothiophen-3-yl)piperazino]butyl]isoindolin-1-one Formula: C24H26FN3OS MolecularWeight: 423.546143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=CC3=C(CNC3=O)C=C2)C4=CSC5=C4C=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CCCCC2=CC3=C(CNC3=O)C=C2)C4=CSC5=C4C=C(C=C5)F

InChI

InChI=1S/C24H26FN3OS/c25-19-6-7-23-21(14-19)22(16-30-23)28-11-9-27(10-12-28)8-2-1-3-17-4-5-18-15-26-24(29)20(18)13-17/h4-7,13-14,16H,1-3,8-12,15H2,(H,26,29)