6-[4-(3-butoxypropylcarbamoyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[4-(3-butoxypropylcarbamoyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[4-(3-butoxypropylcarbamoyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[(3-butoxypropylamino)-oxomethyl]-5-(trifluoromethyl)-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-(3-butoxypropylcarbamoyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[4-(3-butoxypropylcarbamoyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Formula: C16H19F3N5O3- MolecularWeight: 386.34897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)C1=C(N(N=C1)C2=NN=C(C=C2)[O-])C(F)(F)F

Isomeric SMILES

CCCCOCCCNC(=O)C1=C(N(N=C1)C2=NN=C(C=C2)[O-])C(F)(F)F

InChI

InChI=1S/C16H20F3N5O3/c1-2-3-8-27-9-4-7-20-15(26)11-10-21-24(14(11)16(17,18)19)12-5-6-13(25)23-22-12/h5-6,10H,2-4,7-9H2,1H3,(H,20,26)(H,23,25)/p-1