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

Systemtic Name: 1-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[2-methyl-1-(4-octanoylpiperazine-1-carbonyl)butyl]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[3-methyl-1-oxo-1-[4-(1-oxooctyl)-1-piperazinyl]pentan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[1-(4-caprylylpiperazine-1-carbonyl)-2-methyl-butyl]-3-[3-(trifluoromethyl)phenyl]urea Formula: C26H39F3N4O3 MolecularWeight: 512.60807

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C26H39F3N4O3/c1-4-6-7-8-9-13-22(34)32-14-16-33(17-15-32)24(35)23(19(3)5-2)31-25(36)30-21-12-10-11-20(18-21)26(27,28)29/h10-12,18-19,23H,4-9,13-17H2,1-3H3,(H2,30,31,36)