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CHEBI:47093 - 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile

Default Structure
ChEBI IDCHEBI:47093
ChEBI Name7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC22H15Cl2N3O
Net Charge0
Average Mass408.288
Monoisotopic Mass407.05922
SMILES[H]c1c(Cl)c([H])c(C2=C(C#N)[C@]3(C([H])([H])c4c([H])c([H])c(C#N)c([H])c4[H])N(C2=O)C([H])([H])C([H])([H])C3([H])[H])c([H])c1Cl
InChIInChI=1S/C22H15Cl2N3O/c23-17-8-16(9-18(24)10-17)20-19(13-26)22(6-1-7-27(22)21(20)28)11-14-2-4-15(12-25)5-3-14/h2-5,8-10H,1,6-7,11H2/t22-/m0/s1
InChIKeyTZCXQSNBTXDAJG-QFIPXVFZSA-N
ChEBI Ontology
Outgoing Relation(s)
7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile (CHEBI:47093) is a unclassifieds (CHEBI:27189)
Synonyms  Source
7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrilePDBeChem
(7aS)-7a-(4-cyanobenzyl)-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7a-tetrahydro-1H-pyrrolizine-7-carbonitrilePDBeChem
Manual XrefsDatabases
2O7PDBeChem