2-(4-ethoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(4-ethoxyphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(4-ethoxyphenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 2-(4-ethoxyphenyl)-5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-(4-ethoxyphenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-p-phenetyl-5-[4-(2-pyrimidyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H23N5O4/c1-2-34-19-7-5-18(6-8-19)30-23(32)20-9-4-17(16-21(20)24(30)33)22(31)28-12-14-29(15-13-28)25-26-10-3-11-27-25/h3-11,16H,2,12-15H2,1H3