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

Systemtic Name: 2-(pyridin-4-ylmethyl)-4-[4-(2-thiophen-3-ylethanoyl)piperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-(4-pyridylmethyl)-4-[4-[2-(3-thienyl)acetyl]piperazin-1-yl]isoindoline-1,3-dione CAS Name: 4-[4-[1-oxo-2-(3-thiophenyl)ethyl]-1-piperazinyl]-2-(pyridin-4-ylmethyl)isoindole-1,3-dione IUPAC Name: 2-(pyridin-4-ylmethyl)-4-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-(4-pyridylmethyl)-4-[4-[2-(3-thienyl)acetyl]piperazino]isoindoline-1,3-quinone Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=NC=C4)C(=O)CC5=CSC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=NC=C4)C(=O)CC5=CSC=C5

InChI

InChI=1S/C24H22N4O3S/c29-21(14-18-6-13-32-16-18)27-11-9-26(10-12-27)20-3-1-2-19-22(20)24(31)28(23(19)30)15-17-4-7-25-8-5-17/h1-8,13,16H,9-12,14-15H2