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

Systemtic Name: 5-bromanyl-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[4-(4-pyridylmethyl)phenyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[4-(pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[4-(4-pyridylmethyl)phenyl]isoindoline-1,3-quinone Formula: C20H13BrN2O2 MolecularWeight: 393.23342

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrN2O2/c21-15-3-6-17-18(12-15)20(25)23(19(17)24)16-4-1-13(2-5-16)11-14-7-9-22-10-8-14/h1-10,12H,11H2