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

Systemtic Name: (4E)-4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]-1-(2-methylpropyl)-5-oxidanylidene-3-pyridin-1-ium-1-yl-pyrrol-2-olate Openeye Name: (4E)-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]-1-isobutyl-5-oxo-3-pyridin-1-ium-1-yl-pyrrol-2-olate CAS Name: (4E)-4-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]-1-(2-methylpropyl)-5-oxo-3-(1-pyridin-1-iumyl)-2-pyrrololate IUPAC Name: (4E)-4-[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]-1-(2-methylpropyl)-5-oxo-3-pyridin-1-ium-1-ylpyrrol-2-olate Traditional Name: (4E)-4-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]-1-isobutyl-5-keto-3-pyridin-1-ium-1-yl-2-pyrrolin-2-olate Formula: C25H25FN4O3 MolecularWeight: 448.489403

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=C2C(=C(N(C2=O)CC(C)C)[O-])[N+]3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/2\C(=C(N(C2=O)CC(C)C)[O-])[N+]3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN4O3/c1-4-8-19-20(24(32)30(27-19)18-11-9-17(26)10-12-18)21-22(28-13-6-5-7-14-28)25(33)29(23(21)31)15-16(2)3/h5-7,9-14,16H,4,8,15H2,1-3H3