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

Systemtic Name: tert-butyl 4-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[1-(2-methylpyrimidin-4-yl)-4-piperidyl]methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[[1-(2-methyl-4-pyrimidinyl)-4-piperidinyl]methyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 3-keto-4-[[1-(2-methylpyrimidin-4-yl)-4-piperidyl]methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H31N5O3 MolecularWeight: 389.49184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5O3/c1-15-21-8-5-17(22-15)23-9-6-16(7-10-23)13-24-11-12-25(14-18(24)26)19(27)28-20(2,3)4/h5,8,16H,6-7,9-14H2,1-4H3