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

Systemtic Name: 2-(oxolan-2-ylmethyl)-4-[4-(2-thiophen-3-ylethanoyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-(tetrahydrofuran-2-ylmethyl)-4-[4-[2-(3-thienyl)acetyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-(2-oxolanylmethyl)-4-[4-[1-oxo-2-(3-thiophenyl)ethyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(oxolan-2-ylmethyl)-4-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(tetrahydrofurfuryl)-4-[4-[2-(3-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=CSC=C5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)CC5=CSC=C5

InChI

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