tert-butyl N-[(5S)-5-azanyl-6-oxidanylidene-6-(4-pyridin-4-ylpiperazin-1-yl)hexyl]carbamate

Systemtic Name: tert-butyl N-[(5S)-5-azanyl-6-oxidanylidene-6-(4-pyridin-4-ylpiperazin-1-yl)hexyl]carbamate Openeye Name: tert-butyl N-[(5S)-5-amino-6-oxo-6-[4-(4-pyridyl)piperazin-1-yl]hexyl]carbamate CAS Name: N-[(5S)-5-amino-6-oxo-6-(4-pyridin-4-yl-1-piperazinyl)hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5S)-5-amino-6-oxo-6-(4-pyridin-4-ylpiperazin-1-yl)hexyl]carbamate Traditional Name: N-[(5S)-5-amino-6-keto-6-[4-(4-pyridyl)piperazino]hexyl]carbamic acid tert-butyl ester Formula: C20H33N5O3 MolecularWeight: 391.50772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)N1CCN(CC1)C2=CC=NC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)N1CCN(CC1)C2=CC=NC=C2)N

InChI

InChI=1S/C20H33N5O3/c1-20(2,3)28-19(27)23-9-5-4-6-17(21)18(26)25-14-12-24(13-15-25)16-7-10-22-11-8-16/h7-8,10-11,17H,4-6,9,12-15,21H2,1-3H3,(H,23,27)/t17-/m0/s1