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

Systemtic Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-(benzothiophen-2-ylmethyl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(benzothiophen-2-ylmethyl)-4-(4-p-anisylpiperazino)isoindoline-1,3-quinone Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=CC=CC=C6S5

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=CC=CC=C6S5

InChI

InChI=1S/C29H27N3O3S/c1-35-22-11-9-20(10-12-22)18-30-13-15-31(16-14-30)25-7-4-6-24-27(25)29(34)32(28(24)33)19-23-17-21-5-2-3-8-26(21)36-23/h2-12,17H,13-16,18-19H2,1H3