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1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile

Properties

Image

Occurences in reactions

MNX_ID

MNXM146538

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₂₀H₂₁FN₂O

charge

mass

324.16379

reference

InChIKey

WSEQXVZVJXJVFP-UHFFFAOYSA-N

InChI

InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3

SMILES

CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77397 chebi:77397	1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
CHEBI:77408 chebi:77408	3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium
bigg.metabolite:cital biggM:cital seed.compound:cpd04740 seedM:cpd04740 kegg.compound:C07572 keggC:C07572	Citalopram
kegg.drug:D07704 keggD:D07704	Citalopram (USP/INN) Citadur (TN)
hmdb:HMDB0005038	Citalopram 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile Bonitrile Celexa Citadur Citalopram hydrobromide Cytalopram Escitalopram Escitalopram oxalate Lexapro Nitalapram Seropram recital
envipath:...c43005a8c8b7 envipathM:...c43005a8c8b7	compound 0039291
hmdb:HMDB05038 biggM:M_cital keggC:M_C07572 keggD:M_D07704 seedM:M_cpd04740	secondary/obsolete/fantasy identifier