Demethylcitalopram

Properties Image MNX_ID MNXM5122 reference chebi:80603 formula C19H19FN2O global charge 0 mol weight 310.372 InChIKey PTJADDMMFYXMMG-UHFFFAOYSA-N InChI InChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3 SMILES CNCCCC1(C2=CC=C(F)C=C2)OCC2=C1C=CC(C#N)=C2 MNX internals InChI (mnx) InChI=1/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3/t19? SMILES (mnx) [CH3:1][NH:22][CH2:10][CH2:2][CH2:9][C:19]1([C:16]2=[CH:5][CH:7]=[C:17]([F:20])[CH:6]=[CH:4]2)[C:18]2=[C:15]([CH:11]=[C:14]([C:12]#[N:21])[CH:3]=[CH:8]2)[CH2:13][O:23]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0