tert-butyl 1-[2,6-bis(azanyl)hexanoyl]-4-pyridin-2-yl-piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-[2,6-bis(azanyl)hexanoyl]-4-pyridin-2-yl-piperazine-2-carboxylate Openeye Name: tert-butyl 1-(2,6-diaminohexanoyl)-4-(2-pyridyl)piperazine-2-carboxylate CAS Name: 1-(2,6-diamino-1-oxohexyl)-4-(2-pyridinyl)-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2,6-diaminohexanoyl)-4-pyridin-2-ylpiperazine-2-carboxylate Traditional Name: 1-(2,6-diaminohexanoyl)-4-(2-pyridyl)piperazine-2-carboxylic acid tert-butyl ester Formula: C20H33N5O3 MolecularWeight: 391.50772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CN(CCN1C(=O)C(CCCCN)N)C2=CC=CC=N2

Isomeric SMILES

CC(C)(C)OC(=O)C1CN(CCN1C(=O)C(CCCCN)N)C2=CC=CC=N2

InChI

InChI=1S/C20H33N5O3/c1-20(2,3)28-19(27)16-14-24(17-9-5-7-11-23-17)12-13-25(16)18(26)15(22)8-4-6-10-21/h5,7,9,11,15-16H,4,6,8,10,12-14,21-22H2,1-3H3