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Substance Name: Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-penten-4-ynyl)-, (E)-(1)-
RN: 131613-17-7
InChIKey: PKYXXBMHZKYHSP-XYOKQWHBSA-N

Molecular Formula

  • C17-H19-N3-O

Molecular Weight

  • 281.3571
 
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Names and Synonyms

Synonym

  • 6(3Me-2Penten-4yn)TIBO-2-one

Systematic Name

  • Imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one, 4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-penten-4-ynyl)-, (E)-(1)-

Registry Numbers

CAS Registry Number

  • 131613-17-7

System Generated Number

  • 0131613177

Structure Descriptors

InChI

1S/C17H19N3O/c1-4-12(2)8-9-19-11-14-6-5-7-15-16(14)20(10-13(19)3)17(21)18-15/h1,5-8,13H,9-11H2,2-3H3,(H,18,21)/b12-8+

InChIKey

PKYXXBMHZKYHSP-XYOKQWHBSA-N

Smiles

CC1Cn2c3c(cccc3[nH]c2=O)CN1C/C=C(\C)/C#C