1-isoquinolin-5-yl-3-[[6-(trifluoromethyl)pyridin-2-yl]methyl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[[6-(trifluoromethyl)pyridin-2-yl]methyl]urea Openeye Name: 1-(5-isoquinolyl)-3-[[6-(trifluoromethyl)-2-pyridyl]methyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[[6-(trifluoromethyl)-2-pyridinyl]methyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[[6-(trifluoromethyl)pyridin-2-yl]methyl]urea Traditional Name: 1-(5-isoquinolyl)-3-[[6-(trifluoromethyl)-2-pyridyl]methyl]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)NCC3=NC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)NCC3=NC(=CC=C3)C(F)(F)F

InChI

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