6-[4-[(4-fluorophenyl)methyl-methyl-carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate

Systemtic Name: 6-[4-[(4-fluorophenyl)methyl-methyl-carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[4-[(4-fluorophenyl)methyl-methyl-carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[[(4-fluorophenyl)methyl-methylamino]-oxomethyl]-5-(trifluoromethyl)-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-[(4-fluorophenyl)methyl-methylcarbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[4-[(4-fluorobenzyl)-methyl-carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Formula: C17H12F4N5O2- MolecularWeight: 394.303093

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)F)C(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C(F)(F)F

Isomeric SMILES

CN(CC1=CC=C(C=C1)F)C(=O)C2=C(N(N=C2)C3=NN=C(C=C3)[O-])C(F)(F)F

InChI

InChI=1S/C17H13F4N5O2/c1-25(9-10-2-4-11(18)5-3-10)16(28)12-8-22-26(15(12)17(19,20)21)13-6-7-14(27)24-23-13/h2-8H,9H2,1H3,(H,24,27)/p-1