N-isoquinolin-5-yl-2-[(2-propan-2-ylphenyl)amino]-2-[4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: N-isoquinolin-5-yl-2-[(2-propan-2-ylphenyl)amino]-2-[4-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(2-isopropylanilino)-N-(5-isoquinolyl)-2-[4-(trifluoromethyl)phenyl]acetamide CAS Name: N-(5-isoquinolinyl)-2-(2-propan-2-ylanilino)-2-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name: N-isoquinolin-5-yl-2-(2-propan-2-ylanilino)-2-[4-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(2-isopropylanilino)-N-(5-isoquinolyl)-2-[4-(trifluoromethyl)phenyl]acetamide Formula: C27H24F3N3O MolecularWeight: 463.49417

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C27H24F3N3O/c1-17(2)21-7-3-4-8-23(21)32-25(18-10-12-20(13-11-18)27(28,29)30)26(34)33-24-9-5-6-19-16-31-15-14-22(19)24/h3-17,25,32H,1-2H3,(H,33,34)