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

Systemtic Name: 4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-1-(2-methylpropyl)-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-[1-(4-fluorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-1-isobutyl-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(4-fluorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-1-(2-methylpropyl)-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[1-(4-fluorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-1-(2-methylpropyl)-3-(4-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 4-[1-(4-fluorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-1-isobutyl-5-keto-3-(4-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C26H27FN4O3 MolecularWeight: 462.515983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)F)C(C)C)CC(C)C)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)F)C(C)C)CC(C)C)[O-]

InChI

InChI=1S/C26H27FN4O3/c1-15(2)14-30-24(32)21(23(26(30)34)29-12-10-17(5)11-13-29)20-22(16(3)4)28-31(25(20)33)19-8-6-18(27)7-9-19/h6-13,15-16H,14H2,1-5H3