1-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(2-isobutyl-1-oxo-4-isoquinolyl)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[2-(2-methylpropyl)-1-oxo-4-isoquinolinyl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(2-isobutyl-1-keto-4-isoquinolyl)-3-[3-(trifluoromethyl)phenyl]urea Formula: C21H20F3N3O2 MolecularWeight: 403.39761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)CN1C=C(C2=CC=CC=C2C1=O)NC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O2/c1-13(2)11-27-12-18(16-8-3-4-9-17(16)19(27)28)26-20(29)25-15-7-5-6-14(10-15)21(22,23)24/h3-10,12-13H,11H2,1-2H3,(H2,25,26,29)