4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide

Systemtic Name: 4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide Openeye Name: 4-(5-bromo-1,3-dioxo-isoindolin-2-yl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]butanamide CAS Name: 4-(5-bromo-1,3-dioxo-2-isoindolyl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]butanamide IUPAC Name: 4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]butanamide Traditional Name: 4-(5-bromo-1,3-diketo-isoindolin-2-yl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]butyramide Formula: C25H18BrN3O3 MolecularWeight: 488.33272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C25H18BrN3O3/c26-18-10-12-21-22(16-18)25(32)29(24(21)31)14-4-8-23(30)28-20-7-3-5-17(15-20)9-11-19-6-1-2-13-27-19/h1-3,5-7,10,12-13,15-16H,4,8,14H2,(H,28,30)