1-butyl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]urea

Systemtic Name: 1-butyl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]urea Openeye Name: 1-butyl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]urea CAS Name: 1-butyl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]-4-pyrazolyl]urea IUPAC Name: 1-butyl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]urea Traditional Name: 1-butyl-3-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-4-yl]urea Formula: C18H23F3N4O2 MolecularWeight: 384.39603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=C(N(N=C1C)COC2=CC=CC(=C2)C(F)(F)F)C

Isomeric SMILES

CCCCNC(=O)NC1=C(N(N=C1C)COC2=CC=CC(=C2)C(F)(F)F)C

InChI

InChI=1S/C18H23F3N4O2/c1-4-5-9-22-17(26)23-16-12(2)24-25(13(16)3)11-27-15-8-6-7-14(10-15)18(19,20)21/h6-8,10H,4-5,9,11H2,1-3H3,(H2,22,23,26)