(-)-Celacinnine

CAS Registry Number®

53938-05-9

CAS Name

(-)-Celacinnine

Molecular Formula

C25H31N3O2

Molecular Mass

405.53

Cite this Page

(-)-Celacinnine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53938-05-9 (retrieved 2024-11-25) (CAS RN: 53938-05-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)/b15-14+/t23-/m0/s1

InChIKey

InChIKey=OROFOUPCOTVAJQ-NSFRLNINSA-N

SMILES

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

Canonical SMILES

O=C(C=CC=1C=CC=CC1)N2CCCNC(=O)CC(NCCCC2)C=3C=CC=CC3

Other Names for this Substance

  • 1,5,9-Triazacyclotridecan-4-one, 9-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-2-phenyl-, (2S)-
  • 1,5,9-Triazacyclotridecan-4-one, 9-(1-oxo-3-phenyl-2-propenyl)-2-phenyl-, [S-(E)]-
  • 1,5,9-Triazacyclotridecan-4-one, 9-[(2E)-1-oxo-3-phenyl-2-propenyl]-2-phenyl-, (2S)-
  • (2S)-9-[(2E)-1-Oxo-3-phenyl-2-propen-1-yl]-2-phenyl-1,5,9-triazacyclotridecan-4-one
  • Celacinnine

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