1-[2-[[1,1-dicyano-3-[3-(trifluoromethyl)phenoxy]prop-1-en-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea

Systemtic Name: 1-[2-[[1,1-dicyano-3-[3-(trifluoromethyl)phenoxy]prop-1-en-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea Openeye Name: 1-[2-[[2,2-dicyano-1-[[3-(trifluoromethyl)phenoxy]methyl]vinyl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea CAS Name: 1-[2-[[1,1-dicyano-3-[3-(trifluoromethyl)phenoxy]prop-1-en-2-yl]amino]phenyl]-3-(6-phenyl-3-pyridazinyl)urea IUPAC Name: 1-[2-[[1,1-dicyano-3-[3-(trifluoromethyl)phenoxy]prop-1-en-2-yl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea Traditional Name: 1-[2-[[2,2-dicyano-1-[[3-(trifluoromethyl)phenoxy]methyl]vinyl]amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea Formula: C29H20F3N7O2 MolecularWeight: 555.51001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3NC(=C(C#N)C#N)COC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3NC(=C(C#N)C#N)COC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C29H20F3N7O2/c30-29(31,32)21-9-6-10-22(15-21)41-18-26(20(16-33)17-34)35-24-11-4-5-12-25(24)36-28(40)37-27-14-13-23(38-39-27)19-7-2-1-3-8-19/h1-15,35H,18H2,(H2,36,37,39,40)