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

Systemtic Name: 1-[3-(4-fluorophenyl)propyl]-3-[6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazin-3-yl]urea Openeye Name: 1-[3-(4-fluorophenyl)propyl]-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]urea CAS Name: 1-[3-(4-fluorophenyl)propyl]-3-[6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-3-pyridazinyl]urea IUPAC Name: 1-[3-(4-fluorophenyl)propyl]-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]urea Traditional Name: 1-[3-(4-fluorophenyl)propyl]-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazin-3-yl]urea Formula: C26H26F4N6O2 MolecularWeight: 530.517253

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)NC(=O)NCCCC3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)NC(=O)NCCCC3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C26H26F4N6O2/c27-19-9-7-18(8-10-19)4-3-13-31-25(38)32-22-11-12-23(34-33-22)35-14-16-36(17-15-35)24(37)20-5-1-2-6-21(20)26(28,29)30/h1-2,5-12H,3-4,13-17H2,(H2,31,32,33,38)