4-[2-[4-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 4-[2-[4-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 4-[2-[4-(6-fluorobenzothiophen-3-yl)piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 4-[2-[4-(6-fluoro-1-benzothiophen-3-yl)-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 4-[2-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 4-[2-[4-(6-fluorobenzothiophen-3-yl)piperazino]ethyl]isoindoline-1,3-quinone Formula: C22H20FN3O2S MolecularWeight: 409.476503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC3=C2C(=O)NC3=O)C4=CSC5=C4C=CC(=C5)F

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC3=C2C(=O)NC3=O)C4=CSC5=C4C=CC(=C5)F

InChI

InChI=1S/C22H20FN3O2S/c23-15-4-5-16-18(13-29-19(16)12-15)26-10-8-25(9-11-26)7-6-14-2-1-3-17-20(14)22(28)24-21(17)27/h1-5,12-13H,6-11H2,(H,24,27,28)