1-(1-methylisoquinolin-5-yl)-3-[1-[6-(trifluoromethyl)pyridin-2-yl]azetidin-3-yl]urea

Systemtic Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[6-(trifluoromethyl)pyridin-2-yl]azetidin-3-yl]urea Openeye Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[6-(trifluoromethyl)-2-pyridyl]azetidin-3-yl]urea CAS Name: 1-(1-methyl-5-isoquinolinyl)-3-[1-[6-(trifluoromethyl)-2-pyridinyl]-3-azetidinyl]urea IUPAC Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[6-(trifluoromethyl)pyridin-2-yl]azetidin-3-yl]urea Traditional Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[6-(trifluoromethyl)-2-pyridyl]azetidin-3-yl]urea Formula: C20H18F3N5O MolecularWeight: 401.38503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CN(C3)C4=CC=CC(=N4)C(F)(F)F

Isomeric SMILES

CC1=NC=CC2=C1C=CC=C2NC(=O)NC3CN(C3)C4=CC=CC(=N4)C(F)(F)F

InChI

InChI=1S/C20H18F3N5O/c1-12-14-4-2-5-16(15(14)8-9-24-12)26-19(29)25-13-10-28(11-13)18-7-3-6-17(27-18)20(21,22)23/h2-9,13H,10-11H2,1H3,(H2,25,26,29)