2-(5-bromanylpentyl)-3-oxidanyl-3-(2-phenylethynyl)isoindol-1-one

Systemtic Name: 2-(5-bromanylpentyl)-3-oxidanyl-3-(2-phenylethynyl)isoindol-1-one Openeye Name: 2-(5-bromopentyl)-3-hydroxy-3-(2-phenylethynyl)isoindolin-1-one CAS Name: 2-(5-bromopentyl)-3-hydroxy-3-(2-phenylethynyl)-1-isoindolone IUPAC Name: 2-(5-bromopentyl)-3-hydroxy-3-(2-phenylethynyl)isoindol-1-one Traditional Name: 2-(5-bromopentyl)-3-hydroxy-3-(2-phenylethynyl)isoindolin-1-one Formula: C21H20BrNO2 MolecularWeight: 398.293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(=O)N2CCCCCBr)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(=O)N2CCCCCBr)O

InChI

InChI=1S/C21H20BrNO2/c22-15-7-2-8-16-23-20(24)18-11-5-6-12-19(18)21(23,25)14-13-17-9-3-1-4-10-17/h1,3-6,9-12,25H,2,7-8,15-16H2