4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-1H-1,4-diazepine-1-propanoic acid

CAS Registry Number®

1227954-72-4

CAS Name

4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-1H-1,4-diazepine-1-propanoic acid

Molecular Formula

C14H17ClF3N3O2

Molecular Mass

351.75

Cite this Page

4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-1H-1,4-diazepine-1-propanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1227954-72-4 (retrieved 2024-10-06) (CAS RN: 1227954-72-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H17ClF3N3O2/c15-11-8-10(14(16,17)18)9-19-13(11)21-4-1-3-20(6-7-21)5-2-12(22)23/h8-9H,1-7H2,(H,22,23)

InChIKey

InChIKey=QFXOLRGPLPIHJC-UHFFFAOYSA-N

SMILES

ClC1=C(N=CC(C(F)(F)F)=C1)N2CCN(CCC(O)=O)CCC2

Canonical SMILES

O=C(O)CCN1CCN(C2=NC=C(C=C2Cl)C(F)(F)F)CCC1

Other Names for this Substance

  • 1H-1,4-Diazepine-1-propanoic acid, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-
  • 4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]hexahydro-1H-1,4-diazepine-1-propanoic acid

CAS INSIGHTSTM
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