4-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-2-(1-thiophen-2-ylethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-2-(1-thiophen-2-ylethyl)isoindole-1,3-dione Openeye Name: 4-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-2-[1-(2-thienyl)ethyl]isoindoline-1,3-dione CAS Name: 4-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]-2-(1-thiophen-2-ylethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]-2-(1-thiophen-2-ylethyl)isoindole-1,3-dione Traditional Name: 4-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazino]-2-[1-(2-thienyl)ethyl]isoindoline-1,3-quinone Formula: C27H27N3O5S MolecularWeight: 505.58538

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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=CC6=C(C(=C5)OC)OCO6

Isomeric SMILES

CC(C1=CC=CS1)N2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC6=C(C(=C5)OC)OCO6

InChI

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