1-isoquinolin-5-yl-3-[[4-(trifluoromethyl)cyclohexyl]methyl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[[4-(trifluoromethyl)cyclohexyl]methyl]urea Openeye Name: 1-(5-isoquinolyl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[[4-(trifluoromethyl)cyclohexyl]methyl]urea Traditional Name: 1-(5-isoquinolyl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]urea Formula: C18H20F3N3O MolecularWeight: 351.36611

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)NC2=CC=CC3=C2C=CN=C3)C(F)(F)F

Isomeric SMILES

C1CC(CCC1CNC(=O)NC2=CC=CC3=C2C=CN=C3)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-11-22-9-8-15(13)16/h1-3,8-9,11-12,14H,4-7,10H2,(H2,23,24,25)