Citalopram aldehyde

Properties Image MNX_ID MNXM3565 reference chebi:80607 formula C18H14FNO2 global charge 0 mol weight 295.313 InChIKey BBYAFETUIKMLSF-UHFFFAOYSA-N InChI InChI=1S/C18H14FNO2/c19-16-5-3-15(4-6-16)18(8-1-9-21)17-7-2-13(11-20)10-14(17)12-22-18/h2-7,9-10H,1,8,12H2 SMILES N#CC1=CC2=C(C=C1)C(CCC=O)(C1=CC=C(F)C=C1)OC2 MNX internals InChI (mnx) InChI=1/C18H14FNO2/c19-16-5-3-15(4-6-16)18(8-1-9-21)17-7-2-13(11-20)10-14(17)12-22-18/h2-7,9-10H,1,8,12H2/t18? SMILES (mnx) [CH2:1]([CH2:8][C:18]1([C:15]2=[CH:4][CH:6]=[C:16]([F:19])[CH:5]=[CH:3]2)[C:17]2=[C:14]([CH:10]=[C:13]([C:11]#[N:20])[CH:2]=[CH:7]2)[CH2:12][O:22]1)[CH:9]=[O:21]

Parent-child relations graph

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