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

Systemtic Name: (4E)-1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-5-oxo-3-propyl-4-pyrazolylidene]-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-5-oxo-3-propylpyrazol-4-ylidene]-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-1-cyclohexyl-4-[1-(2,4-dimethylphenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C29H32N4O3 MolecularWeight: 484.58938

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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)C5=C(C=C(C=C5)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O3/c1-4-11-22-24(28(35)33(30-22)23-15-14-19(2)18-20(23)3)25-26(31-16-9-6-10-17-31)29(36)32(27(25)34)21-12-7-5-8-13-21/h6,9-10,14-18,21H,4-5,7-8,11-13H2,1-3H3