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

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(2-thiophen-3-ylethanoyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-[2-(3-thienyl)acetyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-[1-oxo-2-(3-thiophenyl)ethyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(2,3-dimethoxyphenyl)methyl]-4-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-o-veratryl-4-[4-[2-(3-thienyl)acetyl]piperazino]isoindoline-1,3-quinone Formula: C27H27N3O5S MolecularWeight: 505.58538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)CC5=CSC=C5

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)CC5=CSC=C5

InChI

InChI=1S/C27H27N3O5S/c1-34-22-8-3-5-19(25(22)35-2)16-30-26(32)20-6-4-7-21(24(20)27(30)33)28-10-12-29(13-11-28)23(31)15-18-9-14-36-17-18/h3-9,14,17H,10-13,15-16H2,1-2H3