(phenylmethyl) 4-[[1-(6-chloranyl-2-methyl-pyrimidin-4-yl)-4-oxidanyl-piperidin-4-yl]methyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[[1-(6-chloranyl-2-methyl-pyrimidin-4-yl)-4-oxidanyl-piperidin-4-yl]methyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[[1-(6-chloro-2-methyl-pyrimidin-4-yl)-4-hydroxy-4-piperidyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[1-(6-chloro-2-methyl-4-pyrimidinyl)-4-hydroxy-4-piperidinyl]methyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[1-(6-chloro-2-methylpyrimidin-4-yl)-4-hydroxypiperidin-4-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[1-(6-chloro-2-methyl-pyrimidin-4-yl)-4-hydroxy-4-piperidyl]methyl]piperazine-1-carboxylic acid benzyl ester Formula: C23H30ClN5O3 MolecularWeight: 459.969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)Cl)N2CCC(CC2)(CN3CCN(CC3)C(=O)OCC4=CC=CC=C4)O

Isomeric SMILES

CC1=NC(=CC(=N1)Cl)N2CCC(CC2)(CN3CCN(CC3)C(=O)OCC4=CC=CC=C4)O

InChI

InChI=1S/C23H30ClN5O3/c1-18-25-20(24)15-21(26-18)28-9-7-23(31,8-10-28)17-27-11-13-29(14-12-27)22(30)32-16-19-5-3-2-4-6-19/h2-6,15,31H,7-14,16-17H2,1H3