3-[4-cyano-3-(trifluoromethyl)phenyl]-1-[4-(cyclohexen-1-yl)phenyl]-1-methyl-urea

Systemtic Name: 3-[4-cyano-3-(trifluoromethyl)phenyl]-1-[4-(cyclohexen-1-yl)phenyl]-1-methyl-urea Openeye Name: 3-[4-cyano-3-(trifluoromethyl)phenyl]-1-[4-(cyclohexen-1-yl)phenyl]-1-methyl-urea CAS Name: 3-[4-cyano-3-(trifluoromethyl)phenyl]-1-[4-(1-cyclohexenyl)phenyl]-1-methylurea IUPAC Name: 3-[4-cyano-3-(trifluoromethyl)phenyl]-1-[4-(cyclohexen-1-yl)phenyl]-1-methylurea Traditional Name: 3-[4-cyano-3-(trifluoromethyl)phenyl]-1-[4-(cyclohexen-1-yl)phenyl]-1-methyl-urea Formula: C22H20F3N3O MolecularWeight: 399.40891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C2=CCCCC2)C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CN(C1=CC=C(C=C1)C2=CCCCC2)C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O/c1-28(19-11-8-16(9-12-19)15-5-3-2-4-6-15)21(29)27-18-10-7-17(14-26)20(13-18)22(23,24)25/h5,7-13H,2-4,6H2,1H3,(H,27,29)