N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-2-yl]acetamide Traditional Name: 2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C22H26FN3O4 MolecularWeight: 415.457943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCNC(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCNC(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C22H26FN3O4/c1-28-19-4-3-16(8-18(19)23)12-26-7-6-24-17(13-26)10-22(27)25-11-15-2-5-20-21(9-15)30-14-29-20/h2-5,8-9,17,24H,6-7,10-14H2,1H3,(H,25,27)