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

Systemtic Name: 1-[1-(4-fluorophenyl)ethyl]-3-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazin-3-yl]urea Openeye Name: 1-[1-(4-fluorophenyl)ethyl]-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]urea CAS Name: 1-[1-(4-fluorophenyl)ethyl]-3-[6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridazinyl]urea IUPAC Name: 1-[1-(4-fluorophenyl)ethyl]-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]urea Traditional Name: 1-[1-(4-fluorophenyl)ethyl]-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazin-3-yl]urea Formula: C25H24F4N6O2 MolecularWeight: 516.490673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)NC2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=O)NC2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C25H24F4N6O2/c1-16(17-6-8-18(26)9-7-17)30-24(37)31-21-10-11-22(33-32-21)34-12-14-35(15-13-34)23(36)19-4-2-3-5-20(19)25(27,28)29/h2-11,16H,12-15H2,1H3,(H2,30,31,32,37)