4-azido-5-iodanyl-N-[3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl]-2-oxidanyl-benzamide

Systemtic Name: 4-azido-5-iodanyl-N-[3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl]-2-oxidanyl-benzamide Openeye Name: 4-azido-2-hydroxy-5-iodo-N-[3-[2-(6-methyl-2-pyridyl)ethynyl]phenyl]benzamide CAS Name: 4-azido-2-hydroxy-5-iodo-N-[3-[2-(6-methyl-2-pyridinyl)ethynyl]phenyl]benzamide IUPAC Name: 4-azido-2-hydroxy-5-iodo-N-[3-[2-(6-methylpyridin-2-yl)ethynyl]phenyl]benzamide Traditional Name: 4-azido-2-hydroxy-5-iodo-N-[3-[2-(6-methyl-2-pyridyl)ethynyl]phenyl]benzamide Formula: C21H14IN5O2 MolecularWeight: 495.27263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C#CC2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3O)N=[N+]=[N-])I

Isomeric SMILES

CC1=CC=CC(=N1)C#CC2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3O)N=[N+]=[N-])I

InChI

InChI=1S/C21H14IN5O2/c1-13-4-2-6-15(24-13)9-8-14-5-3-7-16(10-14)25-21(29)17-11-18(22)19(26-27-23)12-20(17)28/h2-7,10-12,28H,1H3,(H,25,29)