5-(4-bromanylphenoxy)-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione

Systemtic Name: 5-(4-bromanylphenoxy)-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione Openeye Name: 5-(4-bromophenoxy)-2-[4-(4-pyridylmethyl)phenyl]isoindoline-1,3-dione CAS Name: 5-(4-bromophenoxy)-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione IUPAC Name: 5-(4-bromophenoxy)-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione Traditional Name: 5-(4-bromophenoxy)-2-[4-(4-pyridylmethyl)phenyl]isoindoline-1,3-quinone Formula: C26H17BrN2O3 MolecularWeight: 485.32878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)OC5=CC=C(C=C5)Br

InChI

InChI=1S/C26H17BrN2O3/c27-19-3-7-21(8-4-19)32-22-9-10-23-24(16-22)26(31)29(25(23)30)20-5-1-17(2-6-20)15-18-11-13-28-14-12-18/h1-14,16H,15H2