3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]propanenitrile

Systemtic Name: 3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]propanenitrile Openeye Name: 3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-piperidyl]propanenitrile CAS Name: 3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-piperidinyl]propanenitrile IUPAC Name: 3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidin-1-yl]propanenitrile Traditional Name: 3-[3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidino]propionitrile Formula: C22H23FN2O3 MolecularWeight: 382.428023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)CCC#N

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4)CCC#N

InChI

InChI=1S/C22H23FN2O3/c23-18-4-2-16(3-5-18)20-8-11-25(10-1-9-24)13-17(20)14-26-19-6-7-21-22(12-19)28-15-27-21/h2-7,12,17,20H,1,8,10-11,13-15H2