2-(1-benzothiophen-2-ylmethyl)-4-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)isoindole-1,3-dione

Systemtic Name: 2-(1-benzothiophen-2-ylmethyl)-4-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)isoindole-1,3-dione Openeye Name: 2-(benzothiophen-2-ylmethyl)-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-[oxo(2-pyrazinyl)methyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(benzothiophen-2-ylmethyl)-4-(4-pyrazinoylpiperazino)isoindoline-1,3-quinone Formula: C26H21N5O3S MolecularWeight: 483.54164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC5=CC=CC=C5S4)C(=O)C6=NC=CN=C6

Isomeric SMILES

C1CN(CCN1C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC5=CC=CC=C5S4)C(=O)C6=NC=CN=C6

InChI

InChI=1S/C26H21N5O3S/c32-24-19-5-3-6-21(29-10-12-30(13-11-29)25(33)20-15-27-8-9-28-20)23(19)26(34)31(24)16-18-14-17-4-1-2-7-22(17)35-18/h1-9,14-15H,10-13,16H2