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

Systemtic Name: 2-butyl-4-[4-(6-fluoranyl-1-benzothiophen-3-yl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-butyl-4-[4-(6-fluorobenzothiophen-3-yl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-butyl-4-[4-(6-fluoro-1-benzothiophen-3-yl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-butyl-4-[4-(6-fluoro-1-benzothiophen-3-yl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-butyl-4-[4-(6-fluorobenzothiophen-3-yl)piperazino]isoindoline-1,3-quinone Formula: C24H24FN3O2S MolecularWeight: 437.529663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CCN(CC3)C4=CSC5=C4C=CC(=C5)F

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C(=CC=C2)N3CCN(CC3)C4=CSC5=C4C=CC(=C5)F

InChI

InChI=1S/C24H24FN3O2S/c1-2-3-9-28-23(29)18-5-4-6-19(22(18)24(28)30)26-10-12-27(13-11-26)20-15-31-21-14-16(25)7-8-17(20)21/h4-8,14-15H,2-3,9-13H2,1H3