1-cyclohexyl-3-(3,4-dimethylpyridin-1-ium-1-yl)-4-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-5-oxidanylidene-pyrrol-2-olate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5CCCCC5)[O-])C

Isomeric SMILES

CC1=C(C=[N+](C=C1)C2=C(N(C(=O)C2=C3C(=NN(C3=O)C4=CC=CC=C4)C)C5CCCCC5)[O-])C

InChI

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