CHEBI:121002 - N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide

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ChEBI Name N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide
ChEBI ID CHEBI:121002
Stars This entity has been manually annotated by a third party.
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Formulae C23H24F3N3O4
C23H24F3N3O4
Net Charge 0
Average Mass 463.457
Monoisotopic Mass 463.17189
InChI InChI=1S/C23H24F3N3O4/c24-23(25,26)22(31)29(13-15-6-7-18-19(12-15)33-14-32-18)20(16-8-10-27-11-9-16)21(30)28-17-4-2-1-3-5-17/h6-12,17,20H,1-5,13-14H2,(H,28,30)
InChIKey SJPMJEFOOPSVQC-UHFFFAOYSA-N
SMILES C1CCC(CC1)NC(=O)C(C2=CC=NC=C2)N(CC3=CC4=C(C=C3)OCO4)C(=O)C(F)(F)F
ChEBI Ontology
Outgoing N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide (CHEBI:121002) is a benzodioxoles (CHEBI:38298)
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide (CHEBI:121002) is a pyridines (CHEBI:26421)
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide (CHEBI:121002) is a secondary carboxamide (CHEBI:140325)
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide (CHEBI:121002) is a tertiary carboxamide (CHEBI:140326)
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide (CHEBI:121002) is a trifluoroacetamide (CHEBI:145723)
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Last Modified
20 December 2019