1-cyano-4-(1-cyclohexyl-3-ethyl-4-oxidanylidene-2H-indazol-6-yl)cyclohexane-1-carboxylic acid

Systemtic Name: 1-cyano-4-(1-cyclohexyl-3-ethyl-4-oxidanylidene-2H-indazol-6-yl)cyclohexane-1-carboxylic acid Openeye Name: 1-cyano-4-(1-cyclohexyl-3-ethyl-4-oxo-2H-indazol-6-yl)cyclohexanecarboxylic acid CAS Name: 1-cyano-4-(1-cyclohexyl-3-ethyl-4-oxo-2H-indazol-6-yl)-1-cyclohexanecarboxylic acid IUPAC Name: 1-cyano-4-(1-cyclohexyl-3-ethyl-4-oxo-2H-indazol-6-yl)cyclohexane-1-carboxylic acid Traditional Name: 1-cyano-4-(1-cyclohexyl-3-ethyl-4-keto-2H-indazol-6-yl)cyclohexanecarboxylic acid Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC(=CC2=O)C3CCC(CC3)(C#N)C(=O)O)N(N1)C4CCCCC4

Isomeric SMILES

CCC1=C2C(=CC(=CC2=O)C3CCC(CC3)(C#N)C(=O)O)N(N1)C4CCCCC4

InChI

InChI=1S/C23H29N3O3/c1-2-18-21-19(26(25-18)17-6-4-3-5-7-17)12-16(13-20(21)27)15-8-10-23(14-24,11-9-15)22(28)29/h12-13,15,17,25H,2-11H2,1H3,(H,28,29)