3-Chloro-5,6,7,8-tetrahydro-1-phenyl-4-isoquinolinecarbonitrile

CAS Registry Number®

53661-35-1
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CAS Name

3-Chloro-5,6,7,8-tetrahydro-1-phenyl-4-isoquinolinecarbonitrile

Molecular Formula

C16H13ClN2

Molecular Mass

268.74

Cite this Page

3-Chloro-5,6,7,8-tetrahydro-1-phenyl-4-isoquinolinecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53661-35-1 (retrieved 2024-09-07) (CAS RN: 53661-35-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172-174 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C16H13ClN2/c17-16-14(10-18)12-8-4-5-9-13(12)15(19-16)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-9H2

InChIKey

InChIKey=OVFSKQWHMLYFLP-UHFFFAOYSA-N

SMILES

C(#N)C1=C2C(=C(N=C1Cl)C3=CC=CC=C3)CCCC2

Canonical SMILES

N#CC1=C(Cl)N=C(C=2C=CC=CC2)C3=C1CCCC3

Other Names for this Substance

  • 4-Isoquinolinecarbonitrile, 3-chloro-5,6,7,8-tetrahydro-1-phenyl-
  • 3-Chloro-5,6,7,8-tetrahydro-1-phenyl-4-isoquinolinecarbonitrile
  • 3-Chloro-4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinoline
  • 3-Chloro-1-phenyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile
  • 3-Chloro-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile