5-cyano-5-(1-cyclohexyl-3-ethyl-indazol-6-yl)-2-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 5-cyano-5-(1-cyclohexyl-3-ethyl-indazol-6-yl)-2-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 5-cyano-5-(1-cyclohexyl-3-ethyl-indazol-6-yl)-2-oxo-cyclohexanecarboxylic acid CAS Name: 5-cyano-5-(1-cyclohexyl-3-ethyl-6-indazolyl)-2-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 5-cyano-5-(1-cyclohexyl-3-ethylindazol-6-yl)-2-oxocyclohexane-1-carboxylic acid Traditional Name: 5-cyano-5-(1-cyclohexyl-3-ethyl-indazol-6-yl)-2-keto-cyclohexanecarboxylic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)C3(CCC(=O)C(C3)C(=O)O)C#N)C4CCCCC4

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)C3(CCC(=O)C(C3)C(=O)O)C#N)C4CCCCC4

InChI

InChI=1S/C23H27N3O3/c1-2-19-17-9-8-15(12-20(17)26(25-19)16-6-4-3-5-7-16)23(14-24)11-10-21(27)18(13-23)22(28)29/h8-9,12,16,18H,2-7,10-11,13H2,1H3,(H,28,29)