4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrol-2-olate

Systemtic Name: 4-[1-(4-fluorophenyl)-5-oxidanylidene-3-propan-2-yl-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrol-2-olate Openeye Name: 1-benzyl-4-[1-(4-fluorophenyl)-3-isopropyl-5-oxo-pyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: 4-[1-(4-fluorophenyl)-5-oxo-3-propan-2-yl-4-pyrazolylidene]-3-(4-methyl-1-pyridin-1-iumyl)-5-oxo-1-(phenylmethyl)-2-pyrrololate IUPAC Name: 1-benzyl-4-[1-(4-fluorophenyl)-5-oxo-3-propan-2-ylpyrazol-4-ylidene]-3-(4-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: 1-benzyl-4-[1-(4-fluorophenyl)-3-isopropyl-5-keto-2-pyrazolin-4-ylidene]-5-keto-3-(4-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C29H25FN4O3 MolecularWeight: 496.532203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)F)C(C)C)CC5=CC=CC=C5)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=C(C=C4)F)C(C)C)CC5=CC=CC=C5)[O-]

InChI

InChI=1S/C29H25FN4O3/c1-18(2)25-23(28(36)34(31-25)22-11-9-21(30)10-12-22)24-26(32-15-13-19(3)14-16-32)29(37)33(27(24)35)17-20-7-5-4-6-8-20/h4-16,18H,17H2,1-3H3