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(Q105211323)
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English
methyl 5-[(5S)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-5-yl]pyridine-3-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 5-{1H,2H,3H,4H,5H,6H-azepino[4,5-b]indol-5-yl}pyridine-3-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
321.147726848
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₉N₃O₂
0 references
canonical SMILES
O=C(OC)C1=CN=CC(=C1)C2C=3NC=4C=CC=CC4C3CCNC2
0 references
isomeric SMILES
COC(=O)c1cncc([C@H]2CNCCc3c2[nH]c2ccccc32)c1
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found in taxon
Nauclea diderrichii
1 reference
stated in
The Constituents of Naucleadiderrichii. Part III. Indole-Pyridine Alkaloids
Identifiers
InChI
InChI=1S/C19H19N3O2/c1-24-19(23)13-8-12(9-21-10-13)16-11-20-7-6-15-14-4-2-3-5-17(14)22-18(15)16/h2-5,8-10,16,20,22H,6-7,11H2,1H3/t16-/m1/s1
0 references
InChIKey
PLYVTBWVFRXKTQ-MRXNPFEDSA-N
0 references
PubChem CID
162871486
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PLYVTBWVFRXKTQ-MRXNPFEDSA-N
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