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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-octyl-1-[2-(4-pentanoylpiperazin-1-yl)ethyl]urea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-octyl-1-[2-(4-pentanoylpiperazin-1-yl)ethyl]urea CAS Name: 1-[(4-fluorophenyl)methyl]-3-octyl-1-[2-[4-(1-oxopentyl)-1-piperazinyl]ethyl]urea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-octyl-1-[2-(4-pentanoylpiperazin-1-yl)ethyl]urea Traditional Name: 1-(4-fluorobenzyl)-3-octyl-1-[2-(4-valerylpiperazino)ethyl]urea Formula: C27H45FN4O2 MolecularWeight: 476.670203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45FN4O2/c1-3-5-7-8-9-10-16-29-27(34)32(23-24-12-14-25(28)15-13-24)22-19-30-17-20-31(21-18-30)26(33)11-6-4-2/h12-15H,3-11,16-23H2,1-2H3,(H,29,34)