1-[5-fluoranyl-2-(trifluoromethyl)phenyl]-3-(4-isoquinolin-5-ylphenyl)urea

Systemtic Name: 1-[5-fluoranyl-2-(trifluoromethyl)phenyl]-3-(4-isoquinolin-5-ylphenyl)urea Openeye Name: 1-[5-fluoro-2-(trifluoromethyl)phenyl]-3-[4-(5-isoquinolyl)phenyl]urea CAS Name: 1-[5-fluoro-2-(trifluoromethyl)phenyl]-3-[4-(5-isoquinolinyl)phenyl]urea IUPAC Name: 1-[5-fluoro-2-(trifluoromethyl)phenyl]-3-(4-isoquinolin-5-ylphenyl)urea Traditional Name: 1-[5-fluoro-2-(trifluoromethyl)phenyl]-3-[4-(5-isoquinolyl)phenyl]urea Formula: C23H15F4N3O MolecularWeight: 425.378313

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)F)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)F)C(F)(F)F

InChI

InChI=1S/C23H15F4N3O/c24-16-6-9-20(23(25,26)27)21(12-16)30-22(31)29-17-7-4-14(5-8-17)18-3-1-2-15-13-28-11-10-19(15)18/h1-13H,(H2,29,30,31)