1-cyclopropyl-3-isoquinolin-5-yl-1-[[4-(trifluoromethyl)phenyl]methyl]urea

Systemtic Name: 1-cyclopropyl-3-isoquinolin-5-yl-1-[[4-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 1-cyclopropyl-3-(5-isoquinolyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-cyclopropyl-3-(5-isoquinolinyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 1-cyclopropyl-3-isoquinolin-5-yl-1-[[4-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-cyclopropyl-3-(5-isoquinolyl)-1-[4-(trifluoromethyl)benzyl]urea Formula: C21H18F3N3O MolecularWeight: 385.38233

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CC1N(CC2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H18F3N3O/c22-21(23,24)16-6-4-14(5-7-16)13-27(17-8-9-17)20(28)26-19-3-1-2-15-12-25-11-10-18(15)19/h1-7,10-12,17H,8-9,13H2,(H,26,28)