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(Q105198067)
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English
(2E)-1-(6-hydroxy-8-phenyl-1,5,9-triazacyclotridec-5-en-1-yl)-3-phenylprop-2-en-1-one
group of stereoisomers with the chemical formula C₂₅H₃₁N₃O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
cinnamoylamide alkaloid
1 reference
inferred from
cinnamoylamide alkaloid
mass
405.241627232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₁N₃O₂
0 references
canonical SMILES
O=C1CC(c2ccccc2)NCCCCN(C(=O)C=Cc2ccccc2)CCCN1
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isomeric SMILES
O=C1CC(c2ccccc2)NCCCCN(C(=O)/C=C/c2ccccc2)CCCN1
1 reference
based on heuristic
inferred from InChI
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)/b15-14+
0 references
InChIKey
OROFOUPCOTVAJQ-CCEZHUSRSA-N
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PubChem CID
5315760
1 reference
matched by identifier from
InChIKey
InChIKey
OROFOUPCOTVAJQ-CCEZHUSRSA-N
DSSTox substance ID
DTXSID301317150
1 reference
matched by identifier from
InChIKey
InChIKey
OROFOUPCOTVAJQ-CCEZHUSRSA-N
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