tert-butyl 4-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2,6-dimethylpyrimidin-4-yl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(2,6-dimethyl-4-pyrimidinyl)-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2,6-dimethylpyrimidin-4-yl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2,6-dimethylpyrimidin-4-yl)isonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H33N5O3 MolecularWeight: 403.51842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)C)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N5O3/c1-15-14-18(23-16(2)22-15)24-8-6-17(7-9-24)19(27)25-10-12-26(13-11-25)20(28)29-21(3,4)5/h14,17H,6-13H2,1-5H3