2-[2-[4-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]ethyl]-3-oxidanyl-3H-isoindol-1-one

Systemtic Name: 2-[2-[4-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]ethyl]-3-oxidanyl-3H-isoindol-1-one Openeye Name: 2-[2-[4-(6-fluorobenzothiophen-3-yl)piperazin-1-yl]ethyl]-3-hydroxy-isoindolin-1-one CAS Name: 2-[2-[4-(6-fluoro-1-benzothiophen-3-yl)-1-piperazinyl]ethyl]-3-hydroxy-3H-isoindol-1-one IUPAC Name: 2-[2-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethyl]-3-hydroxy-3H-isoindol-1-one Traditional Name: 2-[2-[4-(6-fluorobenzothiophen-3-yl)piperazino]ethyl]-3-hydroxy-isoindolin-1-one Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(C3=CC=CC=C3C2=O)O)C4=CSC5=C4C=CC(=C5)F

Isomeric SMILES

C1CN(CCN1CCN2C(C3=CC=CC=C3C2=O)O)C4=CSC5=C4C=CC(=C5)F

InChI

InChI=1S/C22H22FN3O2S/c23-15-5-6-18-19(14-29-20(18)13-15)25-10-7-24(8-11-25)9-12-26-21(27)16-3-1-2-4-17(16)22(26)28/h1-6,13-14,21,27H,7-12H2