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

Systemtic Name: 3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[2-(4-nonanoylpiperazin-1-yl)ethyl]urea Openeye Name: 3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[2-(4-nonanoylpiperazin-1-yl)ethyl]urea CAS Name: 3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[2-[4-(1-oxononyl)-1-piperazinyl]ethyl]urea IUPAC Name: 3-tert-butyl-1-[(4-fluorophenyl)methyl]-1-[2-(4-nonanoylpiperazin-1-yl)ethyl]urea Traditional Name: 3-tert-butyl-1-(4-fluorobenzyl)-1-[2-(4-pelargonylpiperazino)ethyl]urea Formula: C27H45FN4O2 MolecularWeight: 476.670203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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