3-(3,4-dimethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-1-phenyl-pyrrol-2-olate

Systemtic Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-1-phenyl-pyrrol-2-olate Openeye Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-5-oxo-1-phenyl-pyrrol-2-olate CAS Name: 3-(3,4-dimethyl-1-pyridin-1-iumyl)-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-5-oxo-1-phenyl-2-pyrrololate IUPAC Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-5-oxo-1-phenylpyrrol-2-olate Traditional Name: 3-(3,4-dimethylpyridin-1-ium-1-yl)-4-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-1-phenyl-2-pyrrolin-2-olate Formula: C29H25FN4O3 MolecularWeight: 496.532203

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=CC=C3)[O-])[N+]4=CC(=C(C=C4)C)C)C5=CC=C(C=C5)F

Isomeric SMILES

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3=CC=CC=C3)[O-])[N+]4=CC(=C(C=C4)C)C)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H25FN4O3/c1-4-8-23-24(28(36)34(31-23)22-13-11-20(30)12-14-22)25-26(32-16-15-18(2)19(3)17-32)29(37)33(27(25)35)21-9-6-5-7-10-21/h5-7,9-17H,4,8H2,1-3H3