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

Systemtic Name: 1-[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]propyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-3-(5-isoquinolyl)urea CAS Name: 1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-3-isoquinolin-5-ylurea Traditional Name: 1-[1-[3-fluoro-4-(trifluoromethyl)phenyl]propyl]-3-(5-isoquinolyl)urea Formula: C20H17F4N3O MolecularWeight: 391.362093

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)C(F)(F)F)F)NC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCC(C1=CC(=C(C=C1)C(F)(F)F)F)NC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C20H17F4N3O/c1-2-17(12-6-7-15(16(21)10-12)20(22,23)24)26-19(28)27-18-5-3-4-13-11-25-9-8-14(13)18/h3-11,17H,2H2,1H3,(H2,26,27,28)