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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3/c1-18(2)23-21(26(33)31(28-23)20-14-8-4-9-15-20)22-24(29-16-10-5-11-17-29)27(34)30(25(22)32)19-12-6-3-7-13-19/h4-5,8-11,14-19H,3,6-7,12-13H2,1-2H3