pyridin-2-ylmethyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate

Systemtic Name: pyridin-2-ylmethyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Openeye Name: 2-pyridylmethyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid 2-pyridylmethyl ester Formula: C20H18FN3O2 MolecularWeight: 351.374223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=N4

Isomeric SMILES

C1CCC2=C(C1)C(=NN2C3=CC=C(C=C3)F)C(=O)OCC4=CC=CC=N4

InChI

InChI=1S/C20H18FN3O2/c21-14-8-10-16(11-9-14)24-18-7-2-1-6-17(18)19(23-24)20(25)26-13-15-5-3-4-12-22-15/h3-5,8-12H,1-2,6-7,13H2