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(Q76512501)
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English
2-chloro-4-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-[(2-methylphenyl)methyl]amino]benzonitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
353.12948994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₂₀ClN₃O
0 references
canonical SMILES
Cc1ccccc1CN(c1ccc(C#N)c(Cl)c1)C1CC(=O)N(C)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CC=CC=C1CN([C@H]2CC(=O)N(C2)C)C3=CC(=C(C=C3)C#N)Cl
0 references
Identifiers
InChI
InChI=1S/C20H20ClN3O/c1-14-5-3-4-6-16(14)12-24(18-10-20(25)23(2)13-18)17-8-7-15(11-22)19(21)9-17/h3-9,18H,10,12-13H2,1-2H3/t18-/m0/s1
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InChIKey
XETUBZFWEKVWRV-SFHVURJKSA-N
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PubChem CID
24178393
1 reference
matched by identifier from
InChIKey
InChIKey
XETUBZFWEKVWRV-SFHVURJKSA-N
UniChem compound ID
27466017
1 reference
stated in
UniChem
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