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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C24H29F3N4O2/c1-2-3-4-5-22(32)31-16-14-30(15-17-31)21-12-10-20(11-13-21)29-23(33)28-19-8-6-18(7-9-19)24(25,26)27/h6-13H,2-5,14-17H2,1H3,(H2,28,29,33)