1-[3-methyl-1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-butan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[3-methyl-1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-butan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea Openeye Name: 1-[2-methyl-1-(3-methyl-4-octanoyl-piperazine-1-carbonyl)propyl]-3-[4-(trifluoromethyl)phenyl]urea CAS Name: 1-[3-methyl-1-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-1-oxobutan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxobutan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea Traditional Name: 1-[1-(4-caprylyl-3-methyl-piperazine-1-carbonyl)-2-methyl-propyl]-3-[4-(trifluoromethyl)phenyl]urea Formula: C26H39F3N4O3 MolecularWeight: 512.60807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(C(C)C)NC(=O)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C(C(C)C)NC(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C26H39F3N4O3/c1-5-6-7-8-9-10-22(34)33-16-15-32(17-19(33)4)24(35)23(18(2)3)31-25(36)30-21-13-11-20(12-14-21)26(27,28)29/h11-14,18-19,23H,5-10,15-17H2,1-4H3,(H2,30,31,36)