2-[4-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[3-(4-cyanophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[3-(4-cyanophenoxy)-2-hydroxypropyl]-1-piperazinyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[3-(4-cyanophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[3-(4-cyanophenoxy)-2-hydroxy-propyl]piperazino]-N-(4-fluorophenyl)acetamide Formula: C22H25FN4O3 MolecularWeight: 412.457303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)C#N)O)CC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)C#N)O)CC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN4O3/c23-18-3-5-19(6-4-18)25-22(29)15-27-11-9-26(10-12-27)14-20(28)16-30-21-7-1-17(13-24)2-8-21/h1-8,20,28H,9-12,14-16H2,(H,25,29)