tert-butyl 4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazine-1-carboxylate CAS Name: 4-[1-(4-cyano-3-methylphenyl)hexyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-cyano-3-methylphenyl)hexyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-cyano-3-methyl-phenyl)hexyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H35N3O2 MolecularWeight: 385.5429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H35N3O2/c1-6-7-8-9-21(19-10-11-20(17-24)18(2)16-19)25-12-14-26(15-13-25)22(27)28-23(3,4)5/h10-11,16,21H,6-9,12-15H2,1-5H3