3-(4-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)-1-propan-2-yl-pyrrol-2-olate

Systemtic Name: 3-(4-ethylpyridin-1-ium-1-yl)-5-oxidanylidene-4-(5-oxidanylidene-1-phenyl-3-propan-2-yl-pyrazol-4-ylidene)-1-propan-2-yl-pyrrol-2-olate Openeye Name: 3-(4-ethylpyridin-1-ium-1-yl)-1-isopropyl-4-(3-isopropyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-5-oxo-pyrrol-2-olate CAS Name: 3-(4-ethyl-1-pyridin-1-iumyl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-yl-4-pyrazolylidene)-1-propan-2-yl-2-pyrrololate IUPAC Name: 3-(4-ethylpyridin-1-ium-1-yl)-5-oxo-4-(5-oxo-1-phenyl-3-propan-2-ylpyrazol-4-ylidene)-1-propan-2-ylpyrrol-2-olate Traditional Name: 3-(4-ethylpyridin-1-ium-1-yl)-1-isopropyl-4-(3-isopropyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-2-pyrrolin-2-olate Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O3/c1-6-18-12-14-28(15-13-18)23-21(24(31)29(17(4)5)26(23)33)20-22(16(2)3)27-30(25(20)32)19-10-8-7-9-11-19/h7-17H,6H2,1-5H3