1-cyclohexyl-3-[4-oxidanylidene-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butyl]urea

Systemtic Name: 1-cyclohexyl-3-[4-oxidanylidene-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butyl]urea Openeye Name: 1-cyclohexyl-3-[4-oxo-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]butyl]urea CAS Name: 1-cyclohexyl-3-[4-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]butyl]urea IUPAC Name: 1-cyclohexyl-3-[4-oxo-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]butyl]urea Traditional Name: 1-cyclohexyl-3-[4-keto-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]butyl]urea Formula: C21H30F3N5O2 MolecularWeight: 441.49041

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCCC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCCC(=O)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H30F3N5O2/c22-21(23,24)16-8-9-18(26-15-16)28-11-13-29(14-12-28)19(30)7-4-10-25-20(31)27-17-5-2-1-3-6-17/h8-9,15,17H,1-7,10-14H2,(H2,25,27,31)