1,1-Dimethylethyl N-[(3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]carbamate

CAS Registry Number®

781650-42-8
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CAS Name

1,1-Dimethylethyl N-[(3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]carbamate

Molecular Formula

C19H23F5N2O3

Molecular Mass

422.39

Cite this Page

1,1-Dimethylethyl N-[(3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]carbamate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=781650-42-8 (retrieved 2024-09-10) (CAS RN: 781650-42-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H23F5N2O3/c1-18(2,3)29-17(28)25-14-8-7-11(12-5-4-6-13(20)15(12)21)9-26(16(14)27)10-19(22,23)24/h4-6,11,14H,7-10H2,1-3H3,(H,25,28)/t11-,14-/m1/s1

InChIKey

InChIKey=CUWXCXBLGHGWSF-BXUZGUMPSA-N

SMILES

FC1=C([C@H]2CN(CC(F)(F)F)C(=O)[C@H](NC(OC(C)(C)C)=O)CC2)C=CC=C1F

Canonical SMILES

O=C(OC(C)(C)C)NC1C(=O)N(CC(C=2C=CC=C(F)C2F)CC1)CC(F)(F)F

Other Names for this Substance

  • Carbamic acid, N-[(3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]-, 1,1-dimethylethyl ester
  • Carbamic acid, [(3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl N-[(3R,6S)-6-(2,3-difluorophenyl)hexahydro-2-oxo-1-(2,2,2-trifluoroethyl)-1H-azepin-3-yl]carbamate