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

Systemtic Name: 3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[2-(4-hexanoylpiperazin-1-yl)ethyl]urea Openeye Name: 3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[2-(4-hexanoylpiperazin-1-yl)ethyl]urea CAS Name: 3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[2-[4-(1-oxohexyl)-1-piperazinyl]ethyl]urea IUPAC Name: 3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[2-(4-hexanoylpiperazin-1-yl)ethyl]urea Traditional Name: 3-tert-butyl-1-[2-(4-caproylpiperazino)ethyl]-1-(4-fluorobenzyl)urea Formula: C24H39FN4O2 MolecularWeight: 434.590463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)CCN(CC2=CC=C(C=C2)F)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)CCN(CC2=CC=C(C=C2)F)C(=O)NC(C)(C)C

InChI

InChI=1S/C24H39FN4O2/c1-5-6-7-8-22(30)28-16-13-27(14-17-28)15-18-29(23(31)26-24(2,3)4)19-20-9-11-21(25)12-10-20/h9-12H,5-8,13-19H2,1-4H3,(H,26,31)