CHEBI:121278 - N-(4-methoxyphenyl)carbamic acid [(1-tert-butyl-3,5-dimethyl-4-pyrazolyl)methylideneamino] ester

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ChEBI Name N-(4-methoxyphenyl)carbamic acid [(1-tert-butyl-3,5-dimethyl-4-pyrazolyl)methylideneamino] ester
ChEBI ID CHEBI:121278
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H24N4O3
Net Charge 0
Average Mass 344.409
Monoisotopic Mass 344.18484
InChI InChI=1S/C18H24N4O3/c1-12-16(13(2)22(21-12)18(3,4)5)11-19-25-17(23)20-14-7-9-15(24-6)10-8-14/h7-11H,1-6H3,(H,20,23)
InChIKey YLMACGWFMBYHMC-UHFFFAOYSA-N
SMILES CC1=C(C(=NN1C(C)(C)C)C)C=NOC(=O)NC2=CC=C(C=C2)OC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing N-(4-methoxyphenyl)carbamic acid [(1-tert-butyl-3,5-dimethyl-4-pyrazolyl)methylideneamino] ester (CHEBI:121278) is a methoxybenzenes (CHEBI:51683)
N-(4-methoxyphenyl)carbamic acid [(1-tert-butyl-3,5-dimethyl-4-pyrazolyl)methylideneamino] ester (CHEBI:121278) is a substituted aniline (CHEBI:48975)
Manual Xref Database
LSM-32721 LINCS
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