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

Systemtic Name: tert-butyl 4-[2-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-(4-fluorophenyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[2-(4-fluorophenyl)-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-(4-fluorophenyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H35FN6O3 MolecularWeight: 534.625003

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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)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=C(C=NN2C3=CC=C(C=C3)F)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C29H35FN6O3/c1-29(2,3)39-28(38)35-14-11-21(12-15-35)26-24(20-32-36(26)23-9-7-22(30)8-10-23)27(37)34-18-16-33(17-19-34)25-6-4-5-13-31-25/h4-10,13,20-21H,11-12,14-19H2,1-3H3