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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C2=C(C1=O)C=CC=C2N3CCN(CC3)C4=CSC5=C4C=CC(=C5)F)O

Isomeric SMILES

CCN1C(C2=C(C1=O)C=CC=C2N3CCN(CC3)C4=CSC5=C4C=CC(=C5)F)O

InChI

InChI=1S/C22H22FN3O2S/c1-2-26-21(27)16-4-3-5-17(20(16)22(26)28)24-8-10-25(11-9-24)18-13-29-19-12-14(23)6-7-15(18)19/h3-7,12-13,22,28H,2,8-11H2,1H3