(4E)-1-cyclohexyl-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate

Systemtic Name: (4E)-1-cyclohexyl-4-(3-ethyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxidanylidene-pyrrol-2-olate Openeye Name: (4E)-1-cyclohexyl-4-(3-ethyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxo-pyrrol-2-olate CAS Name: (4E)-1-cyclohexyl-4-(3-ethyl-5-oxo-1-phenyl-4-pyrazolylidene)-3-(3-methyl-1-pyridin-1-iumyl)-5-oxo-2-pyrrololate IUPAC Name: (4E)-1-cyclohexyl-4-(3-ethyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-(3-methylpyridin-1-ium-1-yl)-5-oxopyrrol-2-olate Traditional Name: (4E)-1-cyclohexyl-4-(3-ethyl-5-keto-1-phenyl-2-pyrazolin-4-ylidene)-5-keto-3-(3-methylpyridin-1-ium-1-yl)-2-pyrrolin-2-olate Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C1=C2C(=C(N(C2=O)C3CCCCC3)[O-])[N+]4=CC=CC(=C4)C)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3/c1-3-21-22(26(33)31(28-21)20-14-8-5-9-15-20)23-24(29-16-10-11-18(2)17-29)27(34)30(25(23)32)19-12-6-4-7-13-19/h5,8-11,14-17,19H,3-4,6-7,12-13H2,1-2H3