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(Q82707553)
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English
(3E)-N-Benzyl-2,5-diphenyl-4-(2-phenylhydrazinylidene)-2,4-dihydro-3H-pyrazol-3-imine
group of stereoisomers with the chemical formula C₂₈H₂₃N₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
429.1953457360001
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₂₃N₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
c1ccc(C/N=C2\C(=NNc3ccccc3)C(c3ccccc3)=NN2c2ccccc2)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
c1ccc(C/N=C2\C(=NNc3ccccc3)C(c3ccccc3)=NN2c2ccccc2)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C28H23N5/c1-5-13-22(14-6-1)21-29-28-27(31-30-24-17-9-3-10-18-24)26(23-15-7-2-8-16-23)32-33(28)25-19-11-4-12-20-25/h1-20,30H,21H2/b29-28+,31-27?
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InChIKey
UHHVEBWZFRPLGZ-RBSPPSHASA-N
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CAS Registry Number
89868-28-0
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DSSTox substance ID
DTXSID50755770
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DSSTOX compound identifier
DTXCID40706514
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