tert-butyl 4-[1-(2-chloranyl-6-methyl-pyrimidin-4-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2-chloranyl-6-methyl-pyrimidin-4-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-chloro-6-methyl-pyrimidin-4-yl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(2-chloro-6-methyl-4-pyrimidinyl)-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-chloro-6-methyl-pyrimidin-4-yl)isonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30ClN5O3 MolecularWeight: 423.9369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30ClN5O3/c1-14-13-16(23-18(21)22-14)24-7-5-15(6-8-24)17(27)25-9-11-26(12-10-25)19(28)29-20(2,3)4/h13,15H,5-12H2,1-4H3