N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-iodanyl-benzamide

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-iodanyl-benzamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-2-iodo-benzamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-2-iodobenzamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-iodobenzamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-2-iodo-benzamide Formula: C21H14IN5O MolecularWeight: 479.27323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC=CC=C4I

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)N3C(=C(C=N3)C#N)NC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C21H14IN5O/c1-13-10-19(25-18-9-5-3-6-15(13)18)27-20(14(11-23)12-24-27)26-21(28)16-7-2-4-8-17(16)22/h2-10,12H,1H3,(H,26,28)