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

Systemtic Name: 4-[4-(2-phenylethanoyl)piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(2-phenylacetyl)piperazin-1-yl]-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(2-phenylacetyl)piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(2-phenylacetyl)piperazino]-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O3/c31-23(16-19-6-2-1-3-7-19)29-14-12-28(13-15-29)22-10-4-9-21-24(22)26(33)30(25(21)32)18-20-8-5-11-27-17-20/h1-11,17H,12-16,18H2