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

Systemtic Name: 4-[4-[2-(4-methylphenoxy)ethanoyl]piperazin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-(2-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[2-(4-methylphenoxy)-1-oxoethyl]-1-piperazinyl]-2-(2-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-2-(pyridin-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-[2-(4-methylphenoxy)acetyl]piperazino]-2-(2-pyridylmethyl)isoindoline-1,3-quinone Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CC=N5

InChI

InChI=1S/C27H26N4O4/c1-19-8-10-21(11-9-19)35-18-24(32)30-15-13-29(14-16-30)23-7-4-6-22-25(23)27(34)31(26(22)33)17-20-5-2-3-12-28-20/h2-12H,13-18H2,1H3