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

Systemtic Name: 1-butyl-3-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazin-3-yl]urea Openeye Name: 1-butyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]urea CAS Name: 1-butyl-3-[6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridazinyl]urea IUPAC Name: 1-butyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]urea Traditional Name: 1-butyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazin-3-yl]urea Formula: C21H25F3N6O2 MolecularWeight: 450.45741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F3N6O2/c1-2-3-10-25-20(32)26-17-8-9-18(28-27-17)29-11-13-30(14-12-29)19(31)15-6-4-5-7-16(15)21(22,23)24/h4-9H,2-3,10-14H2,1H3,(H2,25,26,27,32)