N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-fluoranyl-benzamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-fluoro-benzamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-4-fluorobenzamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-fluorobenzamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]-4-fluoro-benzamide Formula: C21H24FN3O3 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)[C@H](CNC(=O)C2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24FN3O3/c1-24-8-10-25(11-9-24)18(16-4-7-19-20(12-16)28-14-27-19)13-23-21(26)15-2-5-17(22)6-3-15/h2-7,12,18H,8-11,13-14H2,1H3,(H,23,26)/t18-/m1/s1