ethyl 4-cyano-4-[3-ethyl-1-(4-fluorophenyl)indazol-6-yl]cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-cyano-4-[3-ethyl-1-(4-fluorophenyl)indazol-6-yl]cyclohexane-1-carboxylate Openeye Name: ethyl 4-cyano-4-[3-ethyl-1-(4-fluorophenyl)indazol-6-yl]cyclohexanecarboxylate CAS Name: 4-cyano-4-[3-ethyl-1-(4-fluorophenyl)-6-indazolyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-4-[3-ethyl-1-(4-fluorophenyl)indazol-6-yl]cyclohexane-1-carboxylate Traditional Name: 4-cyano-4-[3-ethyl-1-(4-fluorophenyl)indazol-6-yl]cyclohexanecarboxylic acid ethyl ester Formula: C25H26FN3O2 MolecularWeight: 419.491243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1C=CC(=C2)C3(CCC(CC3)C(=O)OCC)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=NN(C2=C1C=CC(=C2)C3(CCC(CC3)C(=O)OCC)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FN3O2/c1-3-22-21-10-5-18(15-23(21)29(28-22)20-8-6-19(26)7-9-20)25(16-27)13-11-17(12-14-25)24(30)31-4-2/h5-10,15,17H,3-4,11-14H2,1-2H3