CHEBI:108131 - 2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-oxobutanenitrile

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ChEBI Name 2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-oxobutanenitrile
ChEBI ID CHEBI:108131
Stars This entity has been manually annotated by a third party.
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Formula C19H17N3O3
Net Charge 0
Average Mass 335.357
Monoisotopic Mass 335.12699
InChI InChI=1S/C19H17N3O3/c1-24-17-8-7-12(10-18(17)25-2)9-16(23)13(11-20)19-21-14-5-3-4-6-15(14)22-19/h3-8,10,13H,9H2,1-2H3,(H,21,22)
InChIKey YABKZGMDARWCEV-UHFFFAOYSA-N
SMILES COC1=C(C=C(C=C1)CC(=O)C(C#N)C2=NC3=CC=CC=C3N2)OC
ChEBI Ontology
Outgoing 2-(1H-benzimidazol-2-yl)-4-(3,4-dimethoxyphenyl)-3-oxobutanenitrile (CHEBI:108131) is a dimethoxybenzene (CHEBI:51681)
Manual Xref Database
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