1-[(4-fluorophenyl)methyl]-1-[2-(4-hexanoylpiperazin-1-yl)ethyl]-3-octyl-urea

Systemtic Name: 1-[(4-fluorophenyl)methyl]-1-[2-(4-hexanoylpiperazin-1-yl)ethyl]-3-octyl-urea Openeye Name: 1-[(4-fluorophenyl)methyl]-1-[2-(4-hexanoylpiperazin-1-yl)ethyl]-3-octyl-urea CAS Name: 1-[(4-fluorophenyl)methyl]-3-octyl-1-[2-[4-(1-oxohexyl)-1-piperazinyl]ethyl]urea IUPAC Name: 1-[(4-fluorophenyl)methyl]-1-[2-(4-hexanoylpiperazin-1-yl)ethyl]-3-octylurea Traditional Name: 1-[2-(4-caproylpiperazino)ethyl]-1-(4-fluorobenzyl)-3-octyl-urea Formula: C28H47FN4O2 MolecularWeight: 490.696783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)N(CCN1CCN(CC1)C(=O)CCCCC)CC2=CC=C(C=C2)F

Isomeric SMILES

CCCCCCCCNC(=O)N(CCN1CCN(CC1)C(=O)CCCCC)CC2=CC=C(C=C2)F

InChI

InChI=1S/C28H47FN4O2/c1-3-5-7-8-9-11-17-30-28(35)33(24-25-13-15-26(29)16-14-25)23-20-31-18-21-32(22-19-31)27(34)12-10-6-4-2/h13-16H,3-12,17-24H2,1-2H3,(H,30,35)