3-[2,4-bis(fluoranyl)phenyl]-1-(5-bromanyl-3,3-dimethyl-pentyl)-1-heptyl-urea

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-(5-bromanyl-3,3-dimethyl-pentyl)-1-heptyl-urea Openeye Name: 1-(5-bromo-3,3-dimethyl-pentyl)-3-(2,4-difluorophenyl)-1-heptyl-urea CAS Name: 1-(5-bromo-3,3-dimethylpentyl)-3-(2,4-difluorophenyl)-1-heptylurea IUPAC Name: 1-(5-bromo-3,3-dimethylpentyl)-3-(2,4-difluorophenyl)-1-heptylurea Traditional Name: 1-(5-bromo-3,3-dimethyl-pentyl)-3-(2,4-difluorophenyl)-1-heptyl-urea Formula: C21H33BrF2N2O MolecularWeight: 447.400326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCC(C)(C)CCBr)C(=O)NC1=C(C=C(C=C1)F)F

Isomeric SMILES

CCCCCCCN(CCC(C)(C)CCBr)C(=O)NC1=C(C=C(C=C1)F)F

InChI

InChI=1S/C21H33BrF2N2O/c1-4-5-6-7-8-14-26(15-12-21(2,3)11-13-22)20(27)25-19-10-9-17(23)16-18(19)24/h9-10,16H,4-8,11-15H2,1-3H3,(H,25,27)