[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxylic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate Traditional Name: 1-pivaloylisonipecotic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H31N5O4/c1-21(2,3)19(29)25-9-5-16(6-10-25)18(28)30-15-17(27)24-11-13-26(14-12-24)20-22-7-4-8-23-20/h4,7-8,16H,5-6,9-15H2,1-3H3