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

Systemtic Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: (4E)-1-cyclohexyl-4-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C28H29FN4O3 MolecularWeight: 488.553263

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=CC(=C4)C)C5=CC=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C28H29FN4O3/c1-3-8-22-23(27(35)33(30-22)21-14-12-19(29)13-15-21)24-25(31-16-7-9-18(2)17-31)28(36)32(26(24)34)20-10-5-4-6-11-20/h7,9,12-17,20H,3-6,8,10-11H2,1-2H3