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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]acetamide Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC(=O)NC3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C21H24FN3O4/c1-27-18-4-2-15(10-17(18)22)12-24-6-8-25(9-7-24)13-21(26)23-16-3-5-19-20(11-16)29-14-28-19/h2-5,10-11H,6-9,12-14H2,1H3,(H,23,26)