tert-butyl 4-[3-(5-chloranyl-2-cyano-phenoxy)-3-phenyl-propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(5-chloranyl-2-cyano-phenoxy)-3-phenyl-propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(5-chloro-2-cyano-phenoxy)-3-phenyl-propyl]piperazine-1-carboxylate CAS Name: 4-[3-(5-chloro-2-cyanophenoxy)-3-phenylpropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(5-chloro-2-cyanophenoxy)-3-phenylpropyl]piperazine-1-carboxylate Traditional Name: 4-[3-(5-chloro-2-cyano-phenoxy)-3-phenyl-propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H30ClN3O3 MolecularWeight: 455.977

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCC(C2=CC=CC=C2)OC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCC(C2=CC=CC=C2)OC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C25H30ClN3O3/c1-25(2,3)32-24(30)29-15-13-28(14-16-29)12-11-22(19-7-5-4-6-8-19)31-23-17-21(26)10-9-20(23)18-27/h4-10,17,22H,11-16H2,1-3H3