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

Systemtic Name: 1-[2-(4-cyclohexylcarbonylpiperazin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]-3-octyl-urea Openeye Name: 1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-octyl-urea CAS Name: 1-[2-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]ethyl]-1-[(4-fluorophenyl)methyl]-3-octylurea IUPAC Name: 1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-1-[(4-fluorophenyl)methyl]-3-octylurea Traditional Name: 1-[2-[4-(cyclohexanecarbonyl)piperazino]ethyl]-1-(4-fluorobenzyl)-3-octyl-urea Formula: C29H47FN4O2 MolecularWeight: 502.707483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)N(CCN1CCN(CC1)C(=O)C2CCCCC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCCNC(=O)N(CCN1CCN(CC1)C(=O)C2CCCCC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C29H47FN4O2/c1-2-3-4-5-6-10-17-31-29(36)34(24-25-13-15-27(30)16-14-25)23-20-32-18-21-33(22-19-32)28(35)26-11-8-7-9-12-26/h13-16,26H,2-12,17-24H2,1H3,(H,31,36)