1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-isoquinolin-5-yl-urea

Systemtic Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-isoquinolin-5-ylurea Traditional Name: 1-[2,4-bis(trifluoromethyl)benzyl]-3-(5-isoquinolyl)urea Formula: C19H13F6N3O MolecularWeight: 413.316439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13F6N3O/c20-18(21,22)13-5-4-12(15(8-13)19(23,24)25)10-27-17(29)28-16-3-1-2-11-9-26-7-6-14(11)16/h1-9H,10H2,(H2,27,28,29)