2-butyl-4-(4-pyrimidin-4-ylphenoxy)isoindole-1,3-dione

Systemtic Name: 2-butyl-4-(4-pyrimidin-4-ylphenoxy)isoindole-1,3-dione Openeye Name: 2-butyl-4-(4-pyrimidin-4-ylphenoxy)isoindoline-1,3-dione CAS Name: 2-butyl-4-[4-(4-pyrimidinyl)phenoxy]isoindole-1,3-dione IUPAC Name: 2-butyl-4-(4-pyrimidin-4-ylphenoxy)isoindole-1,3-dione Traditional Name: 2-butyl-4-[4-(4-pyrimidyl)phenoxy]isoindoline-1,3-quinone Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C(=CC=C2)OC3=CC=C(C=C3)C4=NC=NC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C(=CC=C2)OC3=CC=C(C=C3)C4=NC=NC=C4

InChI

InChI=1S/C22H19N3O3/c1-2-3-13-25-21(26)17-5-4-6-19(20(17)22(25)27)28-16-9-7-15(8-10-16)18-11-12-23-14-24-18/h4-12,14H,2-3,13H2,1H3