1-isoquinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name: 1-isoquinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 1-(8-isoquinolyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-(8-isoquinolinyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 1-isoquinolin-8-yl-3-[[4-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-(8-isoquinolyl)-3-[4-(trifluoromethyl)benzyl]urea Formula: C18H14F3N3O MolecularWeight: 345.31847

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=NC=C2)C(=C1)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=NC=C2)C(=C1)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3N3O/c19-18(20,21)14-6-4-12(5-7-14)10-23-17(25)24-16-3-1-2-13-8-9-22-11-15(13)16/h1-9,11H,10H2,(H2,23,24,25)