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

Systemtic Name: 1-(3-methylisoquinolin-5-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea Openeye Name: 1-(3-methyl-5-isoquinolyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea CAS Name: 1-(3-methyl-5-isoquinolinyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea IUPAC Name: 1-(3-methylisoquinolin-5-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea Traditional Name: 1-(3-methyl-5-isoquinolyl)-3-[4-(trifluoromethyl)benzyl]urea Formula: C19H16F3N3O MolecularWeight: 359.34505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O/c1-12-9-16-14(11-23-12)3-2-4-17(16)25-18(26)24-10-13-5-7-15(8-6-13)19(20,21)22/h2-9,11H,10H2,1H3,(H2,24,25,26)