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

Systemtic Name: tert-butyl 4-[2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-pyrazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2-phenyl-3-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[2-phenyl-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]pyrazol-3-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H35N7O3 MolecularWeight: 517.6226

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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=NC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C28H35N7O3/c1-28(2,3)38-27(37)34-14-10-21(11-15-34)24-23(20-31-35(24)22-8-5-4-6-9-22)25(36)32-16-18-33(19-17-32)26-29-12-7-13-30-26/h4-9,12-13,20-21H,10-11,14-19H2,1-3H3