1-[2-(azetidin-2-yl)-3-methyl-quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[2-(azetidin-2-yl)-3-methyl-quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]urea Openeye Name: 1-[2-(azetidin-2-yl)-3-methyl-6-quinolyl]-3-[4-(trifluoromethyl)phenyl]urea CAS Name: 1-[2-(2-azetidinyl)-3-methyl-6-quinolinyl]-3-[4-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[2-(azetidin-2-yl)-3-methylquinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]urea Traditional Name: 1-[2-(azetidin-2-yl)-3-methyl-6-quinolyl]-3-[4-(trifluoromethyl)phenyl]urea Formula: C21H19F3N4O MolecularWeight: 400.39697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C4CCN4

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C4CCN4

InChI

InChI=1S/C21H19F3N4O/c1-12-10-13-11-16(6-7-17(13)28-19(12)18-8-9-25-18)27-20(29)26-15-4-2-14(3-5-15)21(22,23)24/h2-7,10-11,18,25H,8-9H2,1H3,(H2,26,27,29)