charge
label: بار @fa

formula
label: فرمول @fa

inchi
label: اینچی @fa

inchikey
label: اینچی‌کی @fa

mass
label: جرم @fa

monoisotopicmass
label: جرم تک‌ایزوتوپی @fa

smiles
label: اسمایلٓ @fa

subset
label: زیرمجموعه @fa

4-[4-[(1s,5r)-6-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
type: Concept
charge: 0
formula: C26H23N3O2
inchi: InChI=1S/C26H23N3O2/c27-12-17-1-4-19(5-2-17)20-6-8-21(9-7-20)26-22-13-28-14-23(26)29(22)15-18-3-10-24-25(11-18)31-16-30-24/h1-11,22-23,26,28H,13-16H2/t22-,23+,26?
inchikey: KSLUSKGAVZKHEV-XZQOPNAISA-N
mass: 409.481
monoisotopicmass: 409.17903
subset: 2_STAR
broader: nitrile
preferred label: 4 [4 [(1S,5R) 6 (1,3 benzodioxol 5 ylmethyl) 3,6 diazabiciklo[3.1.1]heptan 7 yl]phenyl]benzonitrile @fa

nitrile
type: Concept
narrower: 4-[4-[(1s,5r)-6-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
preferred label: نیتریل @fa