tert-butyl 4-[2-(4-fluorophenyl)-4-(pyridin-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-fluorophenyl)-4-(pyridin-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-fluorophenyl)-4-(2-pyridylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-fluorophenyl)-4-[oxo-(2-pyridinylmethylamino)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-fluorophenyl)-4-(pyridin-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-fluorophenyl)-4-(2-pyridylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C26H30FN5O3 MolecularWeight: 479.546503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)F)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)F)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C26H30FN5O3/c1-26(2,3)35-25(34)31-14-11-18(12-15-31)23-22(24(33)29-16-20-6-4-5-13-28-20)17-30-32(23)21-9-7-19(27)8-10-21/h4-10,13,17-18H,11-12,14-16H2,1-3H3,(H,29,33)