N-isoquinolin-5-yl-3-methyl-4-[3,3,3-tris(fluoranyl)prop-1-ynyl]benzamide

Systemtic Name: N-isoquinolin-5-yl-3-methyl-4-[3,3,3-tris(fluoranyl)prop-1-ynyl]benzamide Openeye Name: N-(5-isoquinolyl)-3-methyl-4-(3,3,3-trifluoroprop-1-ynyl)benzamide CAS Name: N-(5-isoquinolinyl)-3-methyl-4-(3,3,3-trifluoroprop-1-ynyl)benzamide IUPAC Name: N-isoquinolin-5-yl-3-methyl-4-(3,3,3-trifluoroprop-1-ynyl)benzamide Traditional Name: N-(5-isoquinolyl)-3-methyl-4-(3,3,3-trifluoroprop-1-ynyl)benzamide Formula: C20H13F3N2O MolecularWeight: 354.32523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)C#CC(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC3=C2C=CN=C3)C#CC(F)(F)F

InChI

InChI=1S/C20H13F3N2O/c1-13-11-15(6-5-14(13)7-9-20(21,22)23)19(26)25-18-4-2-3-16-12-24-10-8-17(16)18/h2-6,8,10-12H,1H3,(H,25,26)