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

Systemtic Name: tert-butyl 4-[2-(4-fluorophenyl)-4-(phenethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-fluorophenyl)-4-(phenethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-fluorophenyl)-4-[oxo-(phenethylamino)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-fluorophenyl)-4-(phenethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-fluorophenyl)-4-(phenethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H33FN4O3 MolecularWeight: 492.585023

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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)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)F)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H33FN4O3/c1-28(2,3)36-27(35)32-17-14-21(15-18-32)25-24(19-31-33(25)23-11-9-22(29)10-12-23)26(34)30-16-13-20-7-5-4-6-8-20/h4-12,19,21H,13-18H2,1-3H3,(H,30,34)