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

Systemtic Name: 1-[4-(4-octanoylpiperazin-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-[4-(4-octanoylpiperazin-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-(4-octanoylpiperazin-1-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-(4-caprylylpiperazino)phenyl]-3-[2-(trifluoromethyl)phenyl]urea Formula: C26H33F3N4O2 MolecularWeight: 490.56103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33F3N4O2/c1-2-3-4-5-6-11-24(34)33-18-16-32(17-19-33)21-14-12-20(13-15-21)30-25(35)31-23-10-8-7-9-22(23)26(27,28)29/h7-10,12-15H,2-6,11,16-19H2,1H3,(H2,30,31,35)