1-(3-methylisoquinolin-5-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea

Systemtic Name: 1-(3-methylisoquinolin-5-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea Openeye Name: 1-(3-methyl-5-isoquinolyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea CAS Name: 1-(3-methyl-5-isoquinolinyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea IUPAC Name: 1-(3-methylisoquinolin-5-yl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea Traditional Name: 1-(3-methyl-5-isoquinolyl)-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea Formula: C20H18F3N3O MolecularWeight: 373.37163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NCCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O/c1-13-11-17-15(12-25-13)3-2-4-18(17)26-19(27)24-10-9-14-5-7-16(8-6-14)20(21,22)23/h2-8,11-12H,9-10H2,1H3,(H2,24,26,27)