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

Systemtic Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea Openeye Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-(3-pyridylmethyl)urea CAS Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-(3-pyridinylmethyl)urea IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)urea Traditional Name: 3-[3,5-bis(trifluoromethyl)phenyl]-1-(2-cyanoethyl)-1-(3-pyridylmethyl)urea Formula: C18H14F6N4O MolecularWeight: 416.320379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(CCC#N)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)CN(CCC#N)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H14F6N4O/c19-17(20,21)13-7-14(18(22,23)24)9-15(8-13)27-16(29)28(6-2-4-25)11-12-3-1-5-26-10-12/h1,3,5,7-10H,2,6,11H2,(H,27,29)