1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-(4-caproylpiperazino)phenyl]-3-[2-(trifluoromethyl)phenyl]urea Formula: C24H29F3N4O2 MolecularWeight: 462.50787

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C24H29F3N4O2/c1-2-3-4-9-22(32)31-16-14-30(15-17-31)19-12-10-18(11-13-19)28-23(33)29-21-8-6-5-7-20(21)24(25,26)27/h5-8,10-13H,2-4,9,14-17H2,1H3,(H2,28,29,33)