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CHEBI:212955 - 3-[(7R)-5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl]propanenitrile

ChEBI IDCHEBI:212955
ChEBI Name3-[(7R)-5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl]propanenitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H14N4O2
Net Charge0
Average Mass330.347
Monoisotopic Mass330.11168
SMILESN#CCC[C@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C19H14N4O2/c20-11-5-9-15-17-21-14-8-3-1-6-12(14)19(25)23(17)16-10-4-2-7-13(16)18(24)22-15/h1-4,6-8,10,15H,5,9H2,(H,22,24)/t15-/m1/s1
InChIKeyJJFMDWQPUDJAHC-OAHLLOKOSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1177/1934578x1501000916)
ChEBI Ontology
Outgoing Relation(s)
3-[(7R)-5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl]propanenitrile (CHEBI:212955) is a pyrimidodiazepine (CHEBI:39306)
IUPAC Name 
3-[(7R)-5,13-dioxo-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepin-7-yl]propanenitrile
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