tert-butyl N-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]-N-pyridin-2-yl-carbamate

Systemtic Name: tert-butyl N-[2-oxidanylidene-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]-N-pyridin-2-yl-carbamate Openeye Name: tert-butyl N-[2-oxo-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]ethyl]-N-(2-pyridyl)carbamate CAS Name: N-[2-oxo-2-[4-(2-pyridin-4-ylethyl)-1-piperazinyl]ethyl]-N-(2-pyridinyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcarbamate Traditional Name: N-[2-keto-2-[4-[2-(4-pyridyl)ethyl]piperazino]ethyl]-N-(2-pyridyl)carbamic acid tert-butyl ester Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC(=O)N1CCN(CC1)CCC2=CC=NC=C2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N(CC(=O)N1CCN(CC1)CCC2=CC=NC=C2)C3=CC=CC=N3

InChI

InChI=1S/C23H31N5O3/c1-23(2,3)31-22(30)28(20-6-4-5-10-25-20)18-21(29)27-16-14-26(15-17-27)13-9-19-7-11-24-12-8-19/h4-8,10-12H,9,13-18H2,1-3H3