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(Q76416935)
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English
2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]propanedinitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
355.168462292
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₃H₂₁N₃O
0 references
canonical SMILES
CC1=CC(=C(C#N)C#N)C=C(/C=C/c2cc3c4c(c2)CCCN4CCC3)O1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CC1=CC(=C(C#N)C#N)C=C(O1)/C=C/C2=CC3=C4C(=C2)CCCN4CCC3
0 references
Identifiers
InChI
InChI=1S/C23H21N3O/c1-16-10-20(21(14-24)15-25)13-22(27-16)7-6-17-11-18-4-2-8-26-9-3-5-19(12-17)23(18)26/h6-7,10-13H,2-5,8-9H2,1H3/b7-6+
0 references
InChIKey
ZNJRONVKWRHYBF-VOTSOKGWSA-N
0 references
PubChem CID
11302709
1 reference
matched by identifier from
InChIKey
InChIKey
ZNJRONVKWRHYBF-VOTSOKGWSA-N
SureChEMBL ID
SCHEMBL37173
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZNJRONVKWRHYBF-VOTSOKGWSA-N
SCHEMBL37174
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZNJRONVKWRHYBF-VOTSOKGWSA-N
UniChem compound ID
15187171
1 reference
stated in
UniChem
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