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

Systemtic Name: tert-butyl N-[4-[2-[(4-chlorophenyl)-pyridin-2-yl-amino]ethyl]piperazin-1-yl]carbamate Openeye Name: tert-butyl N-[4-[2-[4-chloro-N-(2-pyridyl)anilino]ethyl]piperazin-1-yl]carbamate CAS Name: N-[4-[2-[4-chloro-N-(2-pyridinyl)anilino]ethyl]-1-piperazinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-(4-chloro-N-pyridin-2-ylanilino)ethyl]piperazin-1-yl]carbamate Traditional Name: N-[4-[2-[4-chloro-N-(2-pyridyl)anilino]ethyl]piperazino]carbamic acid tert-butyl ester Formula: C22H30ClN5O2 MolecularWeight: 431.9589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN1CCN(CC1)CCN(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)NN1CCN(CC1)CCN(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C22H30ClN5O2/c1-22(2,3)30-21(29)25-27-15-12-26(13-16-27)14-17-28(20-6-4-5-11-24-20)19-9-7-18(23)8-10-19/h4-11H,12-17H2,1-3H3,(H,25,29)