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CHEBI:40634 - (1R)-1-{4-[(9aS)-octahydro-2H-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol

ChEBI IDCHEBI:40634
ChEBI Name(1R)-1-{4-[(9aS)-octahydro-2H-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Stars
ASCII Name(1R)-1-{4-[(9aS)-octahydro-2H-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Last Modified16 May 2008
DownloadsMolfile
FormulaC29H33N3O
Net Charge0
Average Mass439.603
Monoisotopic Mass439.26236
SMILES[H]Oc1c([H])c([H])c2c(c1[H])C([H])([H])C([H])([H])N(c1c([H])c([H])c([H])c([H])c1[H])[C@]2([H])c1c([H])c([H])c(N2C([H])([H])C([H])([H])N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@@]3([H])C2([H])[H])c([H])c1[H]
InChIInChI=1S/C29H33N3O/c33-27-13-14-28-23(20-27)15-17-32(25-6-2-1-3-7-25)29(28)22-9-11-24(12-10-22)31-19-18-30-16-5-4-8-26(30)21-31/h1-3,6-7,9-14,20,26,29,33H,4-5,8,15-19,21H2/t26-,29+/m0/s1
InChIKeyZGHFWBDHZZKWSI-LITSAYRRSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R)-1-{4-[(9aS)-octahydro-2H-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol (CHEBI:40634) is a isoquinolines (CHEBI:24922)
(1R)-1-{4-[(9aS)-octahydro-2H-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol (CHEBI:40634) is a pyridopyrazine (CHEBI:48276)
Synonyms  Source
(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-OLPDBeChem
(1R)-1-{4-[(9aS)-octahydro-2H-pyrido[1,2-a]pyrazin-2-yl]phenyl}-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-olPDBeChem
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