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

Systemtic Name: tert-butyl N-[6-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]hexyl]carbamate Openeye Name: tert-butyl N-[6-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]hexyl]carbamate CAS Name: N-[6-[4-[3-(4-cyanophenoxy)propyl]-1-piperazinyl]hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[4-[3-(4-cyanophenoxy)propyl]piperazin-1-yl]hexyl]carbamate Traditional Name: N-[6-[4-[3-(4-cyanophenoxy)propyl]piperazino]hexyl]carbamic acid tert-butyl ester Formula: C25H40N4O3 MolecularWeight: 444.6101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCN1CCN(CC1)CCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCN1CCN(CC1)CCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C25H40N4O3/c1-25(2,3)32-24(30)27-13-6-4-5-7-14-28-16-18-29(19-17-28)15-8-20-31-23-11-9-22(21-26)10-12-23/h9-12H,4-8,13-20H2,1-3H3,(H,27,30)