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(Q105198071)
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English
2-Phenyl-9-(3-phenylprop-2-enoyl)-1,5,9-triazacyclotridecan-4-one
group of stereoisomers with the chemical formula C₂₅H₃₁N₃O₂
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Statements
instance of
group of stereoisomers
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subclass of
cinnamoylamide alkaloid
1 reference
inferred from
cinnamoylamide alkaloid
mass
405.24162723200004
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₃₁N₃O₂
0 references
canonical SMILES
O=C1CC(c2ccccc2)NCCCCN(C(=O)C=Cc2ccccc2)CCCN1
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Identifiers
InChI
InChI=1S/C25H31N3O2/c29-24-20-23(22-12-5-2-6-13-22)26-16-7-8-18-28(19-9-17-27-24)25(30)15-14-21-10-3-1-4-11-21/h1-6,10-15,23,26H,7-9,16-20H2,(H,27,29)
0 references
InChIKey
OROFOUPCOTVAJQ-UHFFFAOYSA-N
0 references
PubChem CID
78384657
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OROFOUPCOTVAJQ-UHFFFAOYSA-N
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