tert-butyl 4-[[1-(6-chloranyl-2-methyl-pyrimidin-4-yl)piperidin-4-yl]methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-(6-chloranyl-2-methyl-pyrimidin-4-yl)piperidin-4-yl]methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[1-(6-chloro-2-methyl-pyrimidin-4-yl)-4-piperidyl]methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[[1-(6-chloro-2-methyl-4-pyrimidinyl)-4-piperidinyl]methyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[[1-(6-chloro-2-methyl-pyrimidin-4-yl)-4-piperidyl]methyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30ClN5O3 MolecularWeight: 423.9369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)Cl)N2CCC(CC2)CN3CCN(CC3=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=CC(=N1)Cl)N2CCC(CC2)CN3CCN(CC3=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H30ClN5O3/c1-14-22-16(21)11-17(23-14)24-7-5-15(6-8-24)12-25-9-10-26(13-18(25)27)19(28)29-20(2,3)4/h11,15H,5-10,12-13H2,1-4H3