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

Systemtic Name: 4-bromanyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 4-bromo-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 4-bromo-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 4-bromo-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 4-bromo-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C20H13BrN2O MolecularWeight: 377.23402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrN2O/c21-17-10-8-16(9-11-17)20(24)23-19-6-3-4-15(14-19)7-12-18-5-1-2-13-22-18/h1-6,8-11,13-14H,(H,23,24)