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

Systemtic Name: tert-butyl 1-[2,6-bis(azanyl)hexanoyl]-4-pyridin-4-yl-piperazine-2-carboxylate Openeye Name: tert-butyl 1-(2,6-diaminohexanoyl)-4-(4-pyridyl)piperazine-2-carboxylate CAS Name: 1-(2,6-diamino-1-oxohexyl)-4-pyridin-4-yl-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2,6-diaminohexanoyl)-4-pyridin-4-ylpiperazine-2-carboxylate Traditional Name: 1-(2,6-diaminohexanoyl)-4-(4-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=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H33N5O3/c1-20(2,3)28-19(27)17-14-24(15-7-10-23-11-8-15)12-13-25(17)18(26)16(22)6-4-5-9-21/h7-8,10-11,16-17H,4-6,9,12-14,21-22H2,1-3H3