1,1-Dimethylethyl 4-(3-cyanobenzoyl)-1-piperazinecarboxylate

CAS Registry Number®

1187890-40-9
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CAS Name

1,1-Dimethylethyl 4-(3-cyanobenzoyl)-1-piperazinecarboxylate

Molecular Formula

C17H21N3O3

Molecular Mass

315.37

Cite this Page

1,1-Dimethylethyl 4-(3-cyanobenzoyl)-1-piperazinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1187890-40-9 (retrieved 2024-07-01) (CAS RN: 1187890-40-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H21N3O3/c1-17(2,3)23-16(22)20-9-7-19(8-10-20)15(21)14-6-4-5-13(11-14)12-18/h4-6,11H,7-10H2,1-3H3

InChIKey

InChIKey=JBOLPJWZEGJXBB-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC=CC(=C1)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2

Other Names for this Substance

  • 1-Piperazinecarboxylic acid, 4-(3-cyanobenzoyl)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-(3-cyanobenzoyl)-1-piperazinecarboxylate