1-isoquinolin-5-yl-3-[[3-(trifluoromethyloxy)phenyl]methyl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[[3-(trifluoromethyloxy)phenyl]methyl]urea Openeye Name: 1-(5-isoquinolyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea Traditional Name: 1-(5-isoquinolyl)-3-[3-(trifluoromethoxy)benzyl]urea Formula: C18H14F3N3O2 MolecularWeight: 361.31787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(F)(F)F)CNC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC(=CC(=C1)OC(F)(F)F)CNC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C18H14F3N3O2/c19-18(20,21)26-14-5-1-3-12(9-14)10-23-17(25)24-16-6-2-4-13-11-22-8-7-15(13)16/h1-9,11H,10H2,(H2,23,24,25)