4-bromanyl-3,5-dimethoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C22H17BrN2O3 MolecularWeight: 437.28598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=N3

InChI

InChI=1S/C22H17BrN2O3/c1-27-19-13-16(14-20(28-2)21(19)23)22(26)25-18-8-5-6-15(12-18)9-10-17-7-3-4-11-24-17/h3-8,11-14H,1-2H3,(H,25,26)