4-(4-bromanylpyrazol-1-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide

Systemtic Name: 4-(4-bromanylpyrazol-1-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Openeye Name: 4-(4-bromopyrazol-1-yl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 4-(4-bromo-1-pyrazolyl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 4-(4-bromopyrazol-1-yl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]benzamide Traditional Name: 4-(4-bromopyrazol-1-yl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]benzamide Formula: C23H15BrN4O MolecularWeight: 443.2954

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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)N4C=C(C=N4)Br

Isomeric SMILES

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)N4C=C(C=N4)Br

InChI

InChI=1S/C23H15BrN4O/c24-19-15-26-28(16-19)22-11-8-18(9-12-22)23(29)27-21-6-3-4-17(14-21)7-10-20-5-1-2-13-25-20/h1-6,8-9,11-16H,(H,27,29)