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CHEBI:114402 - 2-acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

ChEBI IDCHEBI:114402
ChEBI Name2-acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
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DownloadsMolfile
FormulaC22H21N5O
Net Charge0
Average Mass371.444
Monoisotopic Mass371.17461
SMILESCC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1
InChIInChI=1S/C22H21N5O/c1-15(28)27-10-9-17-18(11-23)21(26)22(13-24,14-25)20(19(17)12-27)8-7-16-5-3-2-4-6-16/h2-6,9,19-20H,7-8,10,12,26H2,1H3
InChIKeyAUYWZVBGWIZYPZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile (CHEBI:114402) is a benzenes (CHEBI:22712)
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