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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2Cl)C(=C1)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2Cl)C(=C1)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F

InChI

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