3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-[[4-(3-methylpentyl)phenyl]methyl]urea

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-1-heptyl-1-[[4-(3-methylpentyl)phenyl]methyl]urea Openeye Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[[4-(3-methylpentyl)phenyl]methyl]urea CAS Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[[4-(3-methylpentyl)phenyl]methyl]urea IUPAC Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[[4-(3-methylpentyl)phenyl]methyl]urea Traditional Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[4-(3-methylpentyl)benzyl]urea Formula: C27H38F2N2O MolecularWeight: 444.600226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)CCC(C)CC)C(=O)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)CCC(C)CC)C(=O)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C27H38F2N2O/c1-4-6-7-8-9-18-31(27(32)30-26-17-16-24(28)19-25(26)29)20-23-14-12-22(13-15-23)11-10-21(3)5-2/h12-17,19,21H,4-11,18,20H2,1-3H3,(H,30,32)