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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[4-(2-thiophen-2-ylethanoyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[4-[2-(2-thienyl)acetyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-(3,4-dimethoxyphenyl)-4-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[4-[2-(2-thienyl)acetyl]piperazino]isoindoline-1,3-quinone Formula: C26H25N3O5S MolecularWeight: 491.5588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)CC5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)CC5=CC=CS5)OC

InChI

InChI=1S/C26H25N3O5S/c1-33-21-9-8-17(15-22(21)34-2)29-25(31)19-6-3-7-20(24(19)26(29)32)27-10-12-28(13-11-27)23(30)16-18-5-4-14-35-18/h3-9,14-15H,10-13,16H2,1-2H3