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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C(C)C)C5=CC=CC=C5F)[O-])C

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C(C)C)C5=CC=CC=C5F)[O-])C

InChI

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