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

Systemtic Name: tert-butyl 4-[2-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-phenyl-4-[4-(2-pyridyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-phenyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-phenyl-4-[4-(2-pyridyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H36N6O3 MolecularWeight: 516.63454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N6O3/c1-29(2,3)38-28(37)34-15-12-22(13-16-34)26-24(21-31-35(26)23-9-5-4-6-10-23)27(36)33-19-17-32(18-20-33)25-11-7-8-14-30-25/h4-11,14,21-22H,12-13,15-20H2,1-3H3