2-(oxolan-2-ylmethyl)-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(oxolan-2-ylmethyl)-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-(tetrahydrofuran-2-ylmethyl)-5-[4-(2-thienylmethyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-(2-oxolanylmethyl)-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-(oxolan-2-ylmethyl)-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-(tetrahydrofurfuryl)-5-[4-(2-thenyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c27-21(25-9-7-24(8-10-25)15-18-4-2-12-31-18)16-5-6-19-20(13-16)23(29)26(22(19)28)14-17-3-1-11-30-17/h2,4-6,12-13,17H,1,3,7-11,14-15H2