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

Systemtic Name: 1-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-[4-fluoro-3-(trifluoromethyl)benzyl]-3-(3-methyl-5-isoquinolyl)urea Formula: C19H15F4N3O MolecularWeight: 377.335513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15F4N3O/c1-11-7-14-13(10-24-11)3-2-4-17(14)26-18(27)25-9-12-5-6-16(20)15(8-12)19(21,22)23/h2-8,10H,9H2,1H3,(H2,25,26,27)