N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2,3,4-tris(fluoranyl)benzamide

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2,3,4-tris(fluoranyl)benzamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-2,3,4-trifluoro-benzamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-2,3,4-trifluorobenzamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2,3,4-trifluorobenzamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-2,3,4-trifluoro-benzamide Formula: C21H12F3N5O MolecularWeight: 407.34809

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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=C(C(=C(C=C4)F)F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H12F3N5O/c1-11-8-17(27-16-5-3-2-4-13(11)16)29-20(12(9-25)10-26-29)28-21(30)14-6-7-15(22)19(24)18(14)23/h2-8,10H,1H3,(H,28,30)