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

Systemtic Name: 2-[[4-ethoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-ethoxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-ethoxy-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-ethoxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-ethoxy-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H25N5O4/c1-2-35-22-9-8-18(17-31-24(33)19-6-3-4-7-20(19)25(31)34)16-21(22)23(32)29-12-14-30(15-13-29)26-27-10-5-11-28-26/h3-11,16H,2,12-15,17H2,1H3