1-[4-[[4-[3-(azocan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[[4-[3-(azocan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[4-[3-(azocan-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[3-(1-azocanyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[4-[3-(azocan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[3-(azocan-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]piperazino]ethanone Formula: C24H39N3O4 MolecularWeight: 433.58416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)OCC(CN3CCCCCCC3)O)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)OCC(CN3CCCCCCC3)O)OC

InChI

InChI=1S/C24H39N3O4/c1-20(28)27-14-12-26(13-15-27)17-21-8-9-23(24(16-21)30-2)31-19-22(29)18-25-10-6-4-3-5-7-11-25/h8-9,16,22,29H,3-7,10-15,17-19H2,1-2H3