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

Systemtic Name: 5-cyano-5-(1-cyclopentyl-3-ethyl-indazol-6-yl)-2-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 5-cyano-5-(1-cyclopentyl-3-ethyl-indazol-6-yl)-2-oxo-cyclohexanecarboxylic acid CAS Name: 5-cyano-5-(1-cyclopentyl-3-ethyl-6-indazolyl)-2-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 5-cyano-5-(1-cyclopentyl-3-ethylindazol-6-yl)-2-oxocyclohexane-1-carboxylic acid Traditional Name: 5-cyano-5-(1-cyclopentyl-3-ethyl-indazol-6-yl)-2-keto-cyclohexanecarboxylic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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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)C4CCCC4

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)C3(CCC(=O)C(C3)C(=O)O)C#N)C4CCCC4

InChI

InChI=1S/C22H25N3O3/c1-2-18-16-8-7-14(11-19(16)25(24-18)15-5-3-4-6-15)22(13-23)10-9-20(26)17(12-22)21(27)28/h7-8,11,15,17H,2-6,9-10,12H2,1H3,(H,27,28)