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

Systemtic Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C25H23FN4O3 MolecularWeight: 446.473523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H23FN4O3/c1-16-20(24(32)30(27-16)19-12-10-17(26)11-13-19)21-22(28-14-6-3-7-15-28)25(33)29(23(21)31)18-8-4-2-5-9-18/h3,6-7,10-15,18H,2,4-5,8-9H2,1H3