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

Systemtic Name: 1-pentyl-3-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-pentyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-[6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridinyl]-3-pentylurea IUPAC Name: 1-pentyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-amyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazino]-3-pyridyl]urea Formula: C23H28F3N5O2 MolecularWeight: 463.49593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28F3N5O2/c1-2-3-6-11-27-22(33)29-17-9-10-20(28-16-17)30-12-14-31(15-13-30)21(32)18-7-4-5-8-19(18)23(24,25)26/h4-5,7-10,16H,2-3,6,11-15H2,1H3,(H2,27,29,33)