EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:105674 - (3aS,5S,9aS)-2-[(2-methylphenyl)methyl]-5-(1-methyl-3-phenyl-4-pyrazolyl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one

ChEBI IDCHEBI:105674
ChEBI Name(3aS,5S,9aS)-2-[(2-methylphenyl)methyl]-5-(1-methyl-3-phenyl-4-pyrazolyl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one
Stars
DownloadsMolfile
FormulaC27H30N4O
Net Charge0
Average Mass426.564
Monoisotopic Mass426.24196
SMILESCc1ccccc1CN1C[C@@H]2C[C@@H](c3cn(C)nc3-c3ccccc3)N3CCC[C@@]23C1=O
InChIInChI=1S/C27H30N4O/c1-19-9-6-7-12-21(19)16-30-17-22-15-24(31-14-8-13-27(22,31)26(30)32)23-18-29(2)28-25(23)20-10-4-3-5-11-20/h3-7,9-12,18,22,24H,8,13-17H2,1-2H3/t22-,24-,27-/m0/s1
InChIKeyDTXAXMOJMCSHIW-DPPGTGKWSA-N
ChEBI Ontology
Outgoing Relation(s)
(3aS,5S,9aS)-2-[(2-methylphenyl)methyl]-5-(1-methyl-3-phenyl-4-pyrazolyl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one (CHEBI:105674) is a pyrazoles (CHEBI:26410)
(3aS,5S,9aS)-2-[(2-methylphenyl)methyl]-5-(1-methyl-3-phenyl-4-pyrazolyl)-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one (CHEBI:105674) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-17037LINCS