Celabenzine

CAS Registry Number®

53938-08-2

CAS Name

Celabenzine

Molecular Formula

C23H29N3O2

Molecular Mass

379.50

Cite this Page

Celabenzine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53938-08-2 (retrieved 2024-12-22) (CAS RN: 53938-08-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-14-7-8-16-26(17-9-15-25-22)23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,27)/t21-/m0/s1

InChIKey

InChIKey=LSYKFBZWBDMZLQ-NRFANRHFSA-N

SMILES

O=C1C[C@@H](C2=CC=CC=C2)NCCCCN(C(=O)C3=CC=CC=C3)CCCN1

Canonical SMILES

O=C1NCCCN(C(=O)C=2C=CC=CC2)CCCCNC(C=3C=CC=CC3)C1

Other Names for this Substance

  • 1,5,9-Triazacyclotridecan-4-one, 9-benzoyl-2-phenyl-, (2S)-
  • 1,5,9-Triazacyclotridecan-4-one, 9-benzoyl-2-phenyl-, (S)-
  • (2S)-9-Benzoyl-2-phenyl-1,5,9-triazacyclotridecan-4-one
  • Celabenzine
  • Celabenzene

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