3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-methyl-urea

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-methyl-urea Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-methyl-urea CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-methylurea IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-methylurea Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-methyl-urea Formula: C13H11F6N3O MolecularWeight: 339.236359

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN(CCC#N)C(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H11F6N3O/c1-22(4-2-3-20)11(23)21-10-6-8(12(14,15)16)5-9(7-10)13(17,18)19/h5-7H,2,4H2,1H3,(H,21,23)