N-[4-[(2S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanamide

Systemtic Name: N-[4-[(2S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-hydroxy-propoxy]phenyl]acetamide CAS Name: N-[4-[(2S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetamide IUPAC Name: N-[4-[(2S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide Traditional Name: N-[4-[(2S)-2-hydroxy-3-(4-piperonylpiperazino)propoxy]phenyl]acetamide Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@H](CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C23H29N3O5/c1-17(27)24-19-3-5-21(6-4-19)29-15-20(28)14-26-10-8-25(9-11-26)13-18-2-7-22-23(12-18)31-16-30-22/h2-7,12,20,28H,8-11,13-16H2,1H3,(H,24,27)/t20-/m0/s1