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(Q82806228)
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English
(5E)-1-Ethyl-3-methyl-5-phenyl-1,6-benzodiazocin-2(1H)-one
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
290.14191319599996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₈N₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCN1C(=O)C(C)=C/C(c2ccccc2)=N\c2ccccc21
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCN1C(=O)C(C)=C/C(c2ccccc2)=N\c2ccccc21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H18N2O/c1-3-21-18-12-8-7-11-16(18)20-17(13-14(2)19(21)22)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3/b14-13?,20-17+
0 references
InChIKey
DEANRZBWLAHENO-USHUEBFLSA-N
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CAS Registry Number
71127-16-7
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DSSTox substance ID
DTXSID50823286
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DSSTOX compound identifier
DTXCID10774028
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