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

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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
ChEBI ID CHEBI:120980
Stars This entity has been manually annotated by a third party.
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Formula C25H26N4O2
Net Charge 0
Average Mass 414.500
Monoisotopic Mass 414.20558
InChI InChI=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
InChIKey GXTDMBWAWOCPGD-JTJYXVOQSA-N
SMILES COC1=CC=CC=C1N2C=C(C=N2)[C@@H]3C[C@H]4CN(C(=O)[C@@]45N3CCC5)C6=CC=CC=C6
ChEBI Ontology
Outgoing (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)
Manual Xref Database
LSM-32423 LINCS
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