tert-butyl N-[[1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]methyl]carbamate Openeye Name: tert-butyl N-[[1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]methyl]carbamate CAS Name: N-[[1-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]cyclohexyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]methyl]carbamate Traditional Name: N-[[1-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]cyclohexyl]methyl]carbamic acid tert-butyl ester Formula: C22H35N5O3 MolecularWeight: 417.545

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1(CCCCC1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1(CCCCC1)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H35N5O3/c1-21(2,3)30-20(29)25-17-22(8-5-4-6-9-22)16-18(28)26-12-14-27(15-13-26)19-23-10-7-11-24-19/h7,10-11H,4-6,8-9,12-17H2,1-3H3,(H,25,29)