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

Systemtic Name: tert-butyl 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[3-[4-(2-pyrimidyl)piperazino]propylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H36N6O3 MolecularWeight: 432.55964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCCN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H36N6O3/c1-22(2,3)31-21(30)28-12-6-18(7-13-28)19(29)23-10-5-11-26-14-16-27(17-15-26)20-24-8-4-9-25-20/h4,8-9,18H,5-7,10-17H2,1-3H3,(H,23,29)