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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(2-thienylmethyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(thiophen-2-ylmethyl)-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 4-[4-(2-thenyl)piperazino]-2-veratryl-isoindoline-1,3-quinone Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)CC5=CC=CS5)OC

InChI

InChI=1S/C26H27N3O4S/c1-32-22-9-8-18(15-23(22)33-2)16-29-25(30)20-6-3-7-21(24(20)26(29)31)28-12-10-27(11-13-28)17-19-5-4-14-34-19/h3-9,14-15H,10-13,16-17H2,1-2H3