Nigellidine

Properties Image MNX_ID MNXM1129030 reference chebi:168453 formula C18H18N2O2 global charge 0 mol weight 294.354 InChIKey HJKNBAAMIKPHJF-UHFFFAOYSA-N InChI InChI=1S/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11,21H,2-3,8-9H2,1H3 SMILES CC1=CC(=O)C2=C(C3=CC=C(O)C=C3)N3CCCCN3C2=C1 MNX internals InChI (mnx) InChI=1/C18H18N2O2/c1-12-10-15-17(16(22)11-12)18(13-4-6-14(21)7-5-13)20-9-3-2-8-19(15)20/h4-7,10-11,21H,2-3,8-9H2,1H3 SMILES (mnx) [CH3:1][C:12]1=[CH:11][C:16](=[O:22])[C:17]2=[C:18]([C:13]3=[CH:5][CH:7]=[C:14]([OH:21])[CH:6]=[CH:4]3)[N:20]3[CH2:9][CH2:3][CH2:2][CH2:8][N:19]3[C:15]2=[CH:10]1

Parent-child relations graph

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