1-isoquinolin-5-yl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea Openeye Name: 1-(5-isoquinolyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea Traditional Name: 1-(5-isoquinolyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]urea Formula: C19H16F3N3O MolecularWeight: 359.34505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3N3O/c20-19(21,22)15-5-1-3-13(11-15)7-10-24-18(26)25-17-6-2-4-14-12-23-9-8-16(14)17/h1-6,8-9,11-12H,7,10H2,(H2,24,25,26)