2-[[3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-methyl-5-[4-(2-pyridyl)piperazin-1-yl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-methyl-5-[4-(2-pyridinyl)-1-piperazinyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-methyl-5-[4-(2-pyridyl)piperazino]benzyl]isoindoline-1,3-quinone Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)C3=CC=CC=N3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)C3=CC=CC=N3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H24N4O2/c1-18-14-19(17-29-24(30)21-6-2-3-7-22(21)25(29)31)16-20(15-18)27-10-12-28(13-11-27)23-8-4-5-9-26-23/h2-9,14-16H,10-13,17H2,1H3