tert-butyl 4-[1-(6-chloranylpyrimidin-4-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(6-chloranylpyrimidin-4-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(6-chloropyrimidin-4-yl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(6-chloro-4-pyrimidinyl)-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(6-chloropyrimidin-4-yl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(6-chloropyrimidin-4-yl)isonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H28ClN5O3 MolecularWeight: 409.91032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=CC(=NC=N3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=CC(=NC=N3)Cl

InChI

InChI=1S/C19H28ClN5O3/c1-19(2,3)28-18(27)25-10-8-24(9-11-25)17(26)14-4-6-23(7-5-14)16-12-15(20)21-13-22-16/h12-14H,4-11H2,1-3H3