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1-(3-azanylisoquinolin-5-yl)-3-[[3-fluoranyl-4-(trifluoromethyl)phenyl]methyl]urea

1-(3-azanylisoquinolin-5-yl)-3-[[3-fluoranyl-4-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name:1-(3-azanylisoquinolin-5-yl)-3-[[3-fluoranyl-4-(trifluoromethyl)phenyl]methyl]urea
Openeye Name:1-(3-amino-5-isoquinolyl)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CAS Name:1-(3-amino-5-isoquinolinyl)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
IUPAC Name:1-(3-aminoisoquinolin-5-yl)-3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
Traditional Name:1-(3-amino-5-isoquinolyl)-3-[3-fluoro-4-(trifluoromethyl)benzyl]urea
Formula: C18H14F4N4O
MolecularWeight: 378.323573
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CN=C(C=C2C(=C1)NC(=O)NCC3=CC(=C(C=C3)C(F)(F)F)F)N


Isomeric SMILES

C1=CC2=CN=C(C=C2C(=C1)NC(=O)NCC3=CC(=C(C=C3)C(F)(F)F)F)N


InChI

InChI=1S/C18H14F4N4O/c19-14-6-10(4-5-13(14)18(20,21)22)8-25-17(27)26-15-3-1-2-11-9-24-16(23)7-12(11)15/h1-7,9H,8H2,(H2,23,24)(H2,25,26,27)


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