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

Systemtic Name: 1-[[4-chloranyl-3,5-bis(trifluoromethyl)phenyl]methyl]-3-isoquinolin-5-yl-urea Openeye Name: 1-[[4-chloro-3,5-bis(trifluoromethyl)phenyl]methyl]-3-(5-isoquinolyl)urea CAS Name: 1-[[4-chloro-3,5-bis(trifluoromethyl)phenyl]methyl]-3-(5-isoquinolinyl)urea IUPAC Name: 1-[[4-chloro-3,5-bis(trifluoromethyl)phenyl]methyl]-3-isoquinolin-5-ylurea Traditional Name: 1-[4-chloro-3,5-bis(trifluoromethyl)benzyl]-3-(5-isoquinolyl)urea Formula: C19H12ClF6N3O MolecularWeight: 447.761499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClF6N3O/c20-16-13(18(21,22)23)6-10(7-14(16)19(24,25)26)8-28-17(30)29-15-3-1-2-11-9-27-5-4-12(11)15/h1-7,9H,8H2,(H2,28,29,30)