1-heptyl-1-(phenylmethyl)-3-[2,4,6-tris(fluoranyl)phenyl]urea

Systemtic Name: 1-heptyl-1-(phenylmethyl)-3-[2,4,6-tris(fluoranyl)phenyl]urea Openeye Name: 1-benzyl-1-heptyl-3-(2,4,6-trifluorophenyl)urea CAS Name: 1-heptyl-1-(phenylmethyl)-3-(2,4,6-trifluorophenyl)urea IUPAC Name: 1-benzyl-1-heptyl-3-(2,4,6-trifluorophenyl)urea Traditional Name: 1-benzyl-1-heptyl-3-(2,4,6-trifluorophenyl)urea Formula: C21H25F3N2O MolecularWeight: 378.43121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2F)F)F

Isomeric SMILES

CCCCCCCN(CC1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2F)F)F

InChI

InChI=1S/C21H25F3N2O/c1-2-3-4-5-9-12-26(15-16-10-7-6-8-11-16)21(27)25-20-18(23)13-17(22)14-19(20)24/h6-8,10-11,13-14H,2-5,9,12,15H2,1H3,(H,25,27)