1-isoquinolin-5-yl-3-[[4-(trifluoromethyl)phenyl]amino]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[[4-(trifluoromethyl)phenyl]amino]urea Openeye Name: 1-(5-isoquinolyl)-3-[4-(trifluoromethyl)anilino]urea CAS Name: 1-(5-isoquinolinyl)-3-[4-(trifluoromethyl)anilino]urea IUPAC Name: 1-isoquinolin-5-yl-3-[4-(trifluoromethyl)anilino]urea Traditional Name: 1-(5-isoquinolyl)-3-[4-(trifluoromethyl)anilino]urea Formula: C17H13F3N4O MolecularWeight: 346.30653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NNC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NNC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N4O/c18-17(19,20)12-4-6-13(7-5-12)23-24-16(25)22-15-3-1-2-11-10-21-9-8-14(11)15/h1-10,23H,(H2,22,24,25)