1-cyclohexyl-4-[3-ethyl-1-(4-fluorophenyl)-5-oxidanylidene-pyrazol-4-ylidene]-3-(3-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)F)CC)C5CCCCC5)[O-]

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)F)CC)C5CCCCC5)[O-]

InChI

InChI=1S/C28H29FN4O3/c1-3-18-9-8-16-31(17-18)25-24(26(34)32(28(25)36)20-10-6-5-7-11-20)23-22(4-2)30-33(27(23)35)21-14-12-19(29)13-15-21/h8-9,12-17,20H,3-7,10-11H2,1-2H3