1,1-Dimethylethyl 4-(3-chloro-2-pyrazinyl)hexahydro-1H-1,4-diazepine-1-carboxylate

CAS Registry Number®

651047-95-9
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CAS Name

1,1-Dimethylethyl 4-(3-chloro-2-pyrazinyl)hexahydro-1H-1,4-diazepine-1-carboxylate

Molecular Formula

C14H21ClN4O2

Molecular Mass

312.80

Cite this Page

1,1-Dimethylethyl 4-(3-chloro-2-pyrazinyl)hexahydro-1H-1,4-diazepine-1-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=651047-95-9 (retrieved 2024-09-07) (CAS RN: 651047-95-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H21ClN4O2/c1-14(2,3)21-13(20)19-8-4-7-18(9-10-19)12-11(15)16-5-6-17-12/h5-6H,4,7-10H2,1-3H3

InChIKey

InChIKey=LGRSALKNPVXCRP-UHFFFAOYSA-N

SMILES

ClC=1C(=NC=CN1)N2CCN(C(OC(C)(C)C)=O)CCC2

Canonical SMILES

O=C(OC(C)(C)C)N1CCN(C2=NC=CN=C2Cl)CCC1

Other Names for this Substance

  • 1H-1,4-Diazepine-1-carboxylic acid, 4-(3-chloro-2-pyrazinyl)hexahydro-, 1,1-dimethylethyl ester
  • 1H-1,4-Diazepine-1-carboxylic acid, 4-(3-chloropyrazinyl)hexahydro-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-(3-chloro-2-pyrazinyl)hexahydro-1H-1,4-diazepine-1-carboxylate
  • tert-Butyl 4-(3-chloropyrazin-2-yl)-1,4-diazepane-1-carboxylate