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

Systemtic Name: 1-phenethyl-3-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazin-3-yl]urea Openeye Name: 1-phenethyl-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-phenethylurea IUPAC Name: 1-phenethyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]urea Traditional Name: 1-phenethyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazin-3-yl]urea Formula: C25H25F3N6O2 MolecularWeight: 498.50021

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)NC(=O)NCCC3=CC=CC=C3)C(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)NC(=O)NCCC3=CC=CC=C3)C(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C25H25F3N6O2/c26-25(27,28)20-9-5-4-8-19(20)23(35)34-16-14-33(15-17-34)22-11-10-21(31-32-22)30-24(36)29-13-12-18-6-2-1-3-7-18/h1-11H,12-17H2,(H2,29,30,31,36)