4-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(1-thiophen-2-ylethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(1-thiophen-2-ylethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-[1-(2-thienyl)ethyl]isoindoline-1,3-dione CAS Name: 4-[4-[(3,5-dimethoxyphenyl)methyl]-1-piperazinyl]-2-(1-thiophen-2-ylethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(1-thiophen-2-ylethyl)isoindole-1,3-dione Traditional Name: 4-[4-(3,5-dimethoxybenzyl)piperazino]-2-[1-(2-thienyl)ethyl]isoindoline-1,3-quinone Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC(=CC(=C5)OC)OC

Isomeric SMILES

CC(C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC(=CC(=C5)OC)OC

InChI

InChI=1S/C27H29N3O4S/c1-18(24-8-5-13-35-24)30-26(31)22-6-4-7-23(25(22)27(30)32)29-11-9-28(10-12-29)17-19-14-20(33-2)16-21(15-19)34-3/h4-8,13-16,18H,9-12,17H2,1-3H3