3-[1-(Phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)-1-propanone (2E)-2-butenedioate (1:1)

CAS Registry Number®

142852-51-5

CAS Name

3-[1-(Phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)-1-propanone (2E)-2-butenedioate (1:1)

Molecular Formula

C25H32N2O.C4H4O4

Cite this Page

3-[1-(Phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)-1-propanone (2E)-2-butenedioate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=142852-51-5 (retrieved 2024-11-22) (CAS RN: 142852-51-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H32N2O.C4H4O4/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21;5-3(6)1-2-4(7)8/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

InChIKey=CWEHWZPCDBRUNO-WLHGVMLRSA-N

SMILES

C(CCC1CCN(CC2=CC=CC=C2)CC1)(=O)C=3C=C4C(=CC3)CCCCN4.C(=C/C(O)=O)\C(O)=O

Canonical SMILES

O=C(O)C=CC(=O)O.O=C(C1=CC=C2C(=C1)NCCCC2)CCC3CCN(CC=4C=CC=CC4)CC3

Other Names for this Substance

  • 1-Propanone, 3-[1-(phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)-, (2E)-2-butenedioate (1:1)
  • 1-Propanone, 3-[1-(phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)-, (E)-2-butenedioate (1:1)
  • 1H-1-Benzazepine, 1-propanone deriv.
  • 3-[1-(Phenylmethyl)-4-piperidinyl]-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)-1-propanone (2E)-2-butenedioate (1:1)
  • TAK 147

CAS INSIGHTSTM
Targeted protein degrader structure, illustration