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

Systemtic Name: 1-[4-[[3-[3-(azepan-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[[3-[3-(azepan-1-yl)-2-hydroxy-propoxy]phenyl]methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[3-[3-(1-azepanyl)-2-hydroxypropoxy]phenyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[[3-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-[3-(azepan-1-yl)-2-hydroxy-propoxy]benzyl]piperazino]ethanone Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)OCC(CN3CCCCCC3)O

Isomeric SMILES

CC(=O)N1CCN(CC1)CC2=CC(=CC=C2)OCC(CN3CCCCCC3)O

InChI

InChI=1S/C22H35N3O3/c1-19(26)25-13-11-24(12-14-25)16-20-7-6-8-22(15-20)28-18-21(27)17-23-9-4-2-3-5-10-23/h6-8,15,21,27H,2-5,9-14,16-18H2,1H3