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

Systemtic Name: 1-butyl-1-(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-butyl-1-(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-butyl-1-(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-butyl-1-(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-butyl-1-(2-cyanoethyl)-3-[3-(trifluoromethyl)phenyl]urea Formula: C15H18F3N3O MolecularWeight: 313.31813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F3N3O/c1-2-3-9-21(10-5-8-19)14(22)20-13-7-4-6-12(11-13)15(16,17)18/h4,6-7,11H,2-3,5,9-10H2,1H3,(H,20,22)