1-butyl-3-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-butyl-3-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-butyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-butyl-3-[6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-butyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-butyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazino]-3-pyridyl]urea Formula: C22H26F3N5O2 MolecularWeight: 449.46935

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCCNC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H26F3N5O2/c1-2-3-10-26-21(32)28-16-8-9-19(27-15-16)29-11-13-30(14-12-29)20(31)17-6-4-5-7-18(17)22(23,24)25/h4-9,15H,2-3,10-14H2,1H3,(H2,26,28,32)