Phenylmethyl 3-chloro-4-cyano-5,6,7,9-tetrahydro-8H-pyrido[3,4-c]azepine-8-carboxylate

CAS Registry Number®

1341039-99-3
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CAS Name

Phenylmethyl 3-chloro-4-cyano-5,6,7,9-tetrahydro-8H-pyrido[3,4-c]azepine-8-carboxylate

Molecular Formula

C18H16ClN3O2

Molecular Mass

341.79

Cite this Page

Phenylmethyl 3-chloro-4-cyano-5,6,7,9-tetrahydro-8H-pyrido[3,4-c]azepine-8-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1341039-99-3 (retrieved 2024-08-25) (CAS RN: 1341039-99-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H16ClN3O2/c19-17-16(9-20)15-7-4-8-22(11-14(15)10-21-17)18(23)24-12-13-5-2-1-3-6-13/h1-3,5-6,10H,4,7-8,11-12H2

InChIKey

InChIKey=ZKVDSPUYSDDKRW-UHFFFAOYSA-N

SMILES

C(#N)C1=C2C(CN(C(OCC3=CC=CC=C3)=O)CCC2)=CN=C1Cl

Canonical SMILES

N#CC=1C(Cl)=NC=C2C1CCCN(C(=O)OCC=3C=CC=CC3)C2

Other Names for this Substance

  • 8H-Pyrido[3,4-c]azepine-8-carboxylic acid, 3-chloro-4-cyano-5,6,7,9-tetrahydro-, phenylmethyl ester
  • Phenylmethyl 3-chloro-4-cyano-5,6,7,9-tetrahydro-8H-pyrido[3,4-c]azepine-8-carboxylate