Molecule record

(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile

C₂₀H₂₁FN₂O

324.40 g/mol

Loading structure

Molecular properties

Alkane / alkyl carbon

Aromatic ring

Aryl halide

Ether

Nitrile

Tertiary amine

No source-backed physical properties are curated for this molecule yet.

(+)-(S)-1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile
(+)-Citalopram
(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile
(S)-Citalopram
(s)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
128196-01-0
4O4S742ANY

Show all 24 synonyms

5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-
CHEBI:36791
CHEMBL1508
Cipralex
DTXCID4028414
DTXSID8048440
Escitalopram
Escitalopram [INN]
Esertia
Esitol
LU-26-054
MFCD09817397
N06AB10
RefChem:5803
Seroplex
escitalopramum

Canonical SMILES: CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
Isomeric SMILES: CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F
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/t20-/m0/s1
InChIKey: WSEQXVZVJXJVFP-FQEVSTJZSA-N
PubChem CID: 146570

Tabs appear only for spectra stored with clear provenance.

No redistributable or simulated spectroscopy record is attached yet.

On-demand educational prediction for (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; not experimental data.

On-demand educational fragmentation for (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; not experimental data.

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.