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CHEBI:129003 - (4S,7R)-4-[(3-chlorophenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one

ChEBI IDCHEBI:129003
ChEBI Name(4S,7R)-4-[(3-chlorophenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
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FormulaC22H23ClN4O2
Net Charge0
Average Mass410.905
Monoisotopic Mass410.15095
SMILESO=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1cccc(Cl)c1
InChIInChI=1S/C22H23ClN4O2/c23-19-8-4-5-16(12-19)11-18-9-10-27-13-20(25-26-27)14-29-15-21(24-22(18)28)17-6-2-1-3-7-17/h1-8,12-13,18,21H,9-11,14-15H2,(H,24,28)/t18-,21+/m1/s1
InChIKeyIBOMDJXDECXQMM-NQIIRXRSSA-N
ChEBI Ontology
Outgoing Relation(s)
(4S,7R)-4-[(3-chlorophenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one (CHEBI:129003) is a azamacrocycle (CHEBI:52898)
(4S,7R)-4-[(3-chlorophenyl)methyl]-7-phenyl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one (CHEBI:129003) is a lactam (CHEBI:24995)
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