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CHEBI:120980 - (3aS,5S,9aS)-5-[1-(2-methoxyphenyl)-4-pyrazolyl]-2-phenyl-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one

ChEBI IDCHEBI:120980
ChEBI Name(3aS,5S,9aS)-5-[1-(2-methoxyphenyl)-4-pyrazolyl]-2-phenyl-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one
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DownloadsMolfile
FormulaC25H26N4O2
Net Charge0
Average Mass414.509
Monoisotopic Mass414.20558
SMILESCOc1ccccc1-n1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)cn1
InChIInChI=1S/C25H26N4O2/c1-31-23-11-6-5-10-21(23)29-16-18(15-26-29)22-14-19-17-27(20-8-3-2-4-9-20)24(30)25(19)12-7-13-28(22)25/h2-6,8-11,15-16,19,22H,7,12-14,17H2,1H3/t19-,22-,25-/m0/s1
InChIKeyGXTDMBWAWOCPGD-JTJYXVOQSA-N
ChEBI Ontology
Outgoing Relation(s)
(3aS,5S,9aS)-5-[1-(2-methoxyphenyl)-4-pyrazolyl]-2-phenyl-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one (CHEBI:120980) is a pyrazoles (CHEBI:26410)
(3aS,5S,9aS)-5-[1-(2-methoxyphenyl)-4-pyrazolyl]-2-phenyl-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one (CHEBI:120980) is a ring assembly (CHEBI:36820)
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