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

Systemtic Name: 1-[3-methyl-1-(3-methyl-4-octanoyl-piperazin-1-yl)-1-oxidanylidene-pentan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[2-methyl-1-(3-methyl-4-octanoyl-piperazine-1-carbonyl)butyl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[3-methyl-1-[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-1-oxopentan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[1-(4-caprylyl-3-methyl-piperazine-1-carbonyl)-2-methyl-butyl]-3-[3-(trifluoromethyl)phenyl]urea Formula: C27H41F3N4O3 MolecularWeight: 526.63465

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41F3N4O3/c1-5-7-8-9-10-14-23(35)34-16-15-33(18-20(34)4)25(36)24(19(3)6-2)32-26(37)31-22-13-11-12-21(17-22)27(28,29)30/h11-13,17,19-20,24H,5-10,14-16,18H2,1-4H3,(H2,31,32,37)