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(Q83060257)
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English
1H-1,4-Benzodiazepine-7-carbonitrile, 2,3-dihydro-1-methyl-2-oxo-5-phenyl-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
275.105862036
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₃N₃O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN1C(=O)CN=C(c2ccccc2)c2cc(C#N)ccc21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H13N3O/c1-20-15-8-7-12(10-18)9-14(15)17(19-11-16(20)21)13-5-3-2-4-6-13/h2-9H,11H2,1H3
0 references
InChIKey
PMDUNHOOULGNCQ-UHFFFAOYSA-N
0 references
CAS Registry Number
3489-59-6
1 reference
InChIKey
PMDUNHOOULGNCQ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=3489-59-6
PubChem CID
19011
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
433699
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70188445
0 references
DSSTOX compound identifier
DTXCID00110936
0 references
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