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

Systemtic Name: 1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(2-cyanoethyl)-1-(3-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-(2-cyanoethyl)-1-(3-pyridinylmethyl)-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(2-cyanoethyl)-1-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(2-cyanoethyl)-1-(3-pyridylmethyl)-3-[3-(trifluoromethyl)phenyl]urea Formula: C17H15F3N4O MolecularWeight: 348.32241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)N(CCC#N)CC2=CN=CC=C2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)N(CCC#N)CC2=CN=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H15F3N4O/c18-17(19,20)14-5-1-6-15(10-14)23-16(25)24(9-3-7-21)12-13-4-2-8-22-11-13/h1-2,4-6,8,10-11H,3,9,12H2,(H,23,25)