1-(4-heptylphenyl)-3-[2-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(4-heptylphenyl)-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-(4-heptylphenyl)-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-(4-heptylphenyl)-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(4-heptylphenyl)-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-(4-heptylphenyl)-3-[2-(trifluoromethyl)phenyl]urea Formula: C21H25F3N2O MolecularWeight: 378.43121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C21H25F3N2O/c1-2-3-4-5-6-9-16-12-14-17(15-13-16)25-20(27)26-19-11-8-7-10-18(19)21(22,23)24/h7-8,10-15H,2-6,9H2,1H3,(H2,25,26,27)