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CHEBI:126053 - 4-[(3aR,4S,9bS)-1-acetyl-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile

ChEBI IDCHEBI:126053
ChEBI Name4-[(3aR,4S,9bS)-1-acetyl-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
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DownloadsMolfile
FormulaC22H23N3O2
Net Charge0
Average Mass361.445
Monoisotopic Mass361.17903
SMILESCC(=O)N1CC[C@@H]2[C@H]1c1cc(-c3ccc(C#N)cc3)ccc1N(C)[C@@H]2CO
InChIInChI=1S/C22H23N3O2/c1-14(27)25-10-9-18-21(13-26)24(2)20-8-7-17(11-19(20)22(18)25)16-5-3-15(12-23)4-6-16/h3-8,11,18,21-22,26H,9-10,13H2,1-2H3/t18-,21+,22-/m0/s1
InChIKeyNVEHITWFSBUOCD-BWAGFHJFSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(3aR,4S,9bS)-1-acetyl-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile (CHEBI:126053) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-37620LINCS