[(1R)-1-cyanoethyl] 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C17H16FN3O2 MolecularWeight: 313.326243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=NN(C2=C1CCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=NN(C2=C1CCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3O2/c1-11(10-19)23-17(22)16-14-4-2-3-5-15(14)21(20-16)13-8-6-12(18)7-9-13/h6-9,11H,2-5H2,1H3/t11-/m1/s1