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

Systemtic Name: 4-[[2-[3-(azocan-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl]piperazin-2-one Openeye Name: 4-[[2-[3-(azocan-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl]piperazin-2-one CAS Name: 4-[[2-[3-(1-azocanyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]-2-piperazinone IUPAC Name: 4-[[2-[3-(azocan-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]piperazin-2-one Traditional Name: 4-[2-[3-(azocan-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]piperazin-2-one Formula: C22H35N3O4 MolecularWeight: 405.531

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCNC(=O)C2)OCC(CN3CCCCCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCNC(=O)C2)OCC(CN3CCCCCCC3)O

InChI

InChI=1S/C22H35N3O4/c1-28-20-8-7-18(14-25-12-9-23-22(27)16-25)21(13-20)29-17-19(26)15-24-10-5-3-2-4-6-11-24/h7-8,13,19,26H,2-6,9-12,14-17H2,1H3,(H,23,27)