3-[3-bromanyl-5-(trifluoromethyl)phenyl]-1-[4-(cyclohexen-1-yl)phenyl]-1-methyl-urea

Systemtic Name: 3-[3-bromanyl-5-(trifluoromethyl)phenyl]-1-[4-(cyclohexen-1-yl)phenyl]-1-methyl-urea Openeye Name: 3-[3-bromo-5-(trifluoromethyl)phenyl]-1-[4-(cyclohexen-1-yl)phenyl]-1-methyl-urea CAS Name: 3-[3-bromo-5-(trifluoromethyl)phenyl]-1-[4-(1-cyclohexenyl)phenyl]-1-methylurea IUPAC Name: 3-[3-bromo-5-(trifluoromethyl)phenyl]-1-[4-(cyclohexen-1-yl)phenyl]-1-methylurea Traditional Name: 3-[3-bromo-5-(trifluoromethyl)phenyl]-1-[4-(cyclohexen-1-yl)phenyl]-1-methyl-urea Formula: C21H20BrF3N2O MolecularWeight: 453.29551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrF3N2O/c1-27(19-9-7-15(8-10-19)14-5-3-2-4-6-14)20(28)26-18-12-16(21(23,24)25)11-17(22)13-18/h5,7-13H,2-4,6H2,1H3,(H,26,28)