tert-butyl 4-[6-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]hexyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]hexyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]hexyl]piperazine-1-carboxylate CAS Name: 4-[6-[4-[3-(4-cyanophenoxy)propyl]-1-piperazinyl]hexyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]hexyl]piperazine-1-carboxylate Traditional Name: 4-[6-[4-[3-(4-cyanophenoxy)propyl]piperazino]hexyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H47N5O3 MolecularWeight: 513.71518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCCCCN2CCN(CC2)CCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCCCCN2CCN(CC2)CCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C29H47N5O3/c1-29(2,3)37-28(35)34-22-20-32(21-23-34)14-7-5-4-6-13-31-16-18-33(19-17-31)15-8-24-36-27-11-9-26(25-30)10-12-27/h9-12H,4-8,13-24H2,1-3H3