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

Systemtic Name: tert-butyl 4-[2-(3-fluorophenyl)-4-(thiophen-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-fluorophenyl)-4-(2-thienylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(3-fluorophenyl)-4-[oxo-(thiophen-2-ylmethylamino)methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-fluorophenyl)-4-(thiophen-2-ylmethylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(3-fluorophenyl)-4-(2-thenylcarbamoyl)pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H29FN4O3S MolecularWeight: 484.586163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC(=CC=C3)F)C(=O)NCC4=CC=CS4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC(=CC=C3)F)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C25H29FN4O3S/c1-25(2,3)33-24(32)29-11-9-17(10-12-29)22-21(23(31)27-15-20-8-5-13-34-20)16-28-30(22)19-7-4-6-18(26)14-19/h4-8,13-14,16-17H,9-12,15H2,1-3H3,(H,27,31)