6-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamoyl]pyridazin-3-olate

Systemtic Name: 6-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamoyl]pyridazin-3-olate Openeye Name: 6-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamoyl]pyridazin-3-olate CAS Name: 6-[[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylamino]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylcarbamoyl]pyridazin-3-olate Traditional Name: 6-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylcarbamoyl]pyridazin-3-olate Formula: C21H15FN5O2- MolecularWeight: 388.374503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)C4=NN=C(C=C4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CNC(=O)C4=NN=C(C=C4)[O-]

InChI

InChI=1S/C21H16FN5O2/c22-16-8-6-14(7-9-16)20-15(13-27(26-20)17-4-2-1-3-5-17)12-23-21(29)18-10-11-19(28)25-24-18/h1-11,13H,12H2,(H,23,29)(H,25,28)/p-1