1-(4-chloranylisoquinolin-5-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name: 1-(4-chloranylisoquinolin-5-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 1-(4-chloro-5-isoquinolyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-(4-chloro-5-isoquinolinyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 1-(4-chloroisoquinolin-5-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-(4-chloro-5-isoquinolyl)-3-[4-(trifluoromethyl)benzyl]urea Formula: C18H13ClF3N3O MolecularWeight: 379.76353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CN=CC(=C2C(=C1)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC2=CN=CC(=C2C(=C1)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H13ClF3N3O/c19-14-10-23-9-12-2-1-3-15(16(12)14)25-17(26)24-8-11-4-6-13(7-5-11)18(20,21)22/h1-7,9-10H,8H2,(H2,24,25,26)