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

Systemtic Name: 1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-[4-(1-oxohexyl)-1-piperazinyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(4-hexanoylpiperazin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-(4-caproylpiperazino)phenyl]-3-[3-(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=CC(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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