2-[[4-methoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-methoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-methoxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-methoxy-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-methoxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-methoxy-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H23N5O4/c1-34-21-8-7-17(16-30-23(32)18-5-2-3-6-19(18)24(30)33)15-20(21)22(31)28-11-13-29(14-12-28)25-26-9-4-10-27-25/h2-10,15H,11-14,16H2,1H3