2-(oxolan-2-ylmethyl)-4-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(oxolan-2-ylmethyl)-4-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-(tetrahydrofuran-2-ylmethyl)-4-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-(2-oxolanylmethyl)-4-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(oxolan-2-ylmethyl)-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(tetrahydrofurfuryl)-4-[4-[2-(2-thienyl)acetyl]piperazino]isoindoline-1,3-quinone Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)CC5=CC=CS5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C23H25N3O4S/c27-20(14-17-5-3-13-31-17)25-10-8-24(9-11-25)19-7-1-6-18-21(19)23(29)26(22(18)28)15-16-4-2-12-30-16/h1,3,5-7,13,16H,2,4,8-12,14-15H2