(4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C27H27FN4O3 MolecularWeight: 474.526683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H27FN4O3/c1-2-9-21-22(26(34)32(29-21)20-14-12-18(28)13-15-20)23-24(30-16-7-4-8-17-30)27(35)31(25(23)33)19-10-5-3-6-11-19/h4,7-8,12-17,19H,2-3,5-6,9-11H2,1H3