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

Systemtic Name: 1-pentyl-3-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazin-3-yl]urea Openeye Name: 1-pentyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]urea CAS Name: 1-[6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridazinyl]-3-pentylurea IUPAC Name: 1-pentyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]urea Traditional Name: 1-amyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazin-3-yl]urea Formula: C22H27F3N6O2 MolecularWeight: 464.48399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27F3N6O2/c1-2-3-6-11-26-21(33)27-18-9-10-19(29-28-18)30-12-14-31(15-13-30)20(32)16-7-4-5-8-17(16)22(23,24)25/h4-5,7-10H,2-3,6,11-15H2,1H3,(H2,26,27,28,33)