4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-1-(3-methylphenyl)-3-(3-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-(3-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: 4-[1-(4-fluorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-1-(m-tolyl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(4-fluorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-1-(3-methylphenyl)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: 4-[1-(4-fluorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-1-(3-methylphenyl)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 4-[1-(4-fluorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-1-(m-tolyl)-2-pyrrolin-2-olate Formula: C29H25FN4O3 MolecularWeight: 496.532203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(=C3C(=NN(C3=O)C4=CC=C(C=C4)F)C(C)C)C2=O)[N+]5=CC=CC(=C5)C)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(=C3C(=NN(C3=O)C4=CC=C(C=C4)F)C(C)C)C2=O)[N+]5=CC=CC(=C5)C)[O-]

InChI

InChI=1S/C29H25FN4O3/c1-17(2)25-23(28(36)34(31-25)21-12-10-20(30)11-13-21)24-26(32-14-6-8-19(4)16-32)29(37)33(27(24)35)22-9-5-7-18(3)15-22/h5-17H,1-4H3