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

Systemtic Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[6-methyl-5-(trifluoromethyl)pyridin-2-yl]azetidin-3-yl]urea Openeye Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[6-methyl-5-(trifluoromethyl)-2-pyridyl]azetidin-3-yl]urea CAS Name: 1-(1-methyl-5-isoquinolinyl)-3-[1-[6-methyl-5-(trifluoromethyl)-2-pyridinyl]-3-azetidinyl]urea IUPAC Name: 1-(1-methylisoquinolin-5-yl)-3-[1-[6-methyl-5-(trifluoromethyl)pyridin-2-yl]azetidin-3-yl]urea Traditional Name: 1-(1-methyl-5-isoquinolyl)-3-[1-[6-methyl-5-(trifluoromethyl)-2-pyridyl]azetidin-3-yl]urea Formula: C21H20F3N5O MolecularWeight: 415.41161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)N2CC(C2)NC(=O)NC3=CC=CC4=C3C=CN=C4C)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=N1)N2CC(C2)NC(=O)NC3=CC=CC4=C3C=CN=C4C)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O/c1-12-15-4-3-5-18(16(15)8-9-25-12)28-20(30)27-14-10-29(11-14)19-7-6-17(13(2)26-19)21(22,23)24/h3-9,14H,10-11H2,1-2H3,(H2,27,28,30)