CI 1044

CAS Registry Number®

197894-84-1
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CAS Name

CI 1044

Molecular Formula

C23H19N5O2

Molecular Mass

397.43

Cite this Page

CI 1044.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=197894-84-1 (retrieved 2024-05-15) (CAS RN: 197894-84-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H19N5O2/c24-17-11-15-8-10-28-20(15)18(12-17)19(14-5-2-1-3-6-14)26-21(23(28)30)27-22(29)16-7-4-9-25-13-16/h1-7,9,11-13,21H,8,10,24H2,(H,27,29)/t21-/m0/s1

InChIKey

InChIKey=XGXOSJSGDNPEEF-NRFANRHFSA-N

SMILES

O=C1N2C3=C(C(=N[C@H]1NC(=O)C=4C=CC=NC4)C5=CC=CC=C5)C=C(N)C=C3CC2

Canonical SMILES

O=C(NC1N=C(C=2C=CC=CC2)C=3C=C(N)C=C4C3N(C1=O)CC4)C=5C=NC=CC5

Other Names for this Substance

  • 3-Pyridinecarboxamide, N-[(3R)-9-amino-3,4,6,7-tetrahydro-4-oxo-1-phenylpyrrolo[3,2,1-jk][1,4]benzodiazepin-3-yl]-
  • 3-Pyridinecarboxamide, N-(9-amino-3,4,6,7-tetrahydro-4-oxo-1-phenylpyrrolo[3,2,1-jk][1,4]benzodiazepin-3-yl)-, (R)-
  • N-[(3R)-9-Amino-3,4,6,7-tetrahydro-4-oxo-1-phenylpyrrolo[3,2,1-jk][1,4]benzodiazepin-3-yl]-3-pyridinecarboxamide
  • CI 1044
  • (+)-CI 1044

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