1-[[3,5-bis(trifluoromethyl)phenyl]amino]-3-(4-pentylphenyl)urea

Systemtic Name: 1-[[3,5-bis(trifluoromethyl)phenyl]amino]-3-(4-pentylphenyl)urea Openeye Name: 1-[3,5-bis(trifluoromethyl)anilino]-3-(4-pentylphenyl)urea CAS Name: 1-[3,5-bis(trifluoromethyl)anilino]-3-(4-pentylphenyl)urea IUPAC Name: 1-[3,5-bis(trifluoromethyl)anilino]-3-(4-pentylphenyl)urea Traditional Name: 1-(4-amylphenyl)-3-[3,5-bis(trifluoromethyl)anilino]urea Formula: C20H21F6N3O MolecularWeight: 433.390659

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)NNC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)NNC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H21F6N3O/c1-2-3-4-5-13-6-8-16(9-7-13)27-18(30)29-28-17-11-14(19(21,22)23)10-15(12-17)20(24,25)26/h6-12,28H,2-5H2,1H3,(H2,27,29,30)