1-[(4-fluorophenyl)methyl]-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: 4-[1-(4-fluorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-1-[(4-fluorophenyl)methyl]-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: 1-[(4-fluorophenyl)methyl]-4-[1-(4-fluorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-[1-(4-fluorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: 1-(4-fluorobenzyl)-4-[1-(4-fluorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C28H22F2N4O3 MolecularWeight: 500.496086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=C(C=C3)F)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C)C1=NN(C(=O)C1=C2C(=C(N(C2=O)CC3=CC=C(C=C3)F)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H22F2N4O3/c1-17(2)24-22(27(36)34(31-24)21-12-10-20(30)11-13-21)23-25(32-14-4-3-5-15-32)28(37)33(26(23)35)16-18-6-8-19(29)9-7-18/h3-15,17H,16H2,1-2H3