tert-butyl 4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[4-(4-pyridyl)piperazino]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H31N5O3 MolecularWeight: 389.49184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C20H31N5O3/c1-20(2,3)28-19(27)25-14-12-24(13-15-25)18(26)16-22-8-10-23(11-9-22)17-4-6-21-7-5-17/h4-7H,8-16H2,1-3H3