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

Systemtic Name: 6-[4-[(4-phenoxyphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Openeye Name: 6-[4-[(4-phenoxyphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate CAS Name: 6-[4-[oxo-(4-phenoxyanilino)methyl]-5-(trifluoromethyl)-1-pyrazolyl]-3-pyridazinolate IUPAC Name: 6-[4-[(4-phenoxyphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Traditional Name: 6-[4-[(4-phenoxyphenyl)carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-olate Formula: C21H13F3N5O3- MolecularWeight: 440.35483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(N(N=C3)C4=NN=C(C=C4)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=C(N(N=C3)C4=NN=C(C=C4)[O-])C(F)(F)F

InChI

InChI=1S/C21H14F3N5O3/c22-21(23,24)19-16(12-25-29(19)17-10-11-18(30)28-27-17)20(31)26-13-6-8-15(9-7-13)32-14-4-2-1-3-5-14/h1-12H,(H,26,31)(H,28,30)/p-1