1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-6-(1,2,,3,4-tetrahydro-quinolin-7-yloxymethyl)-piperazin-2-one (Q27465103)

CHEMBL434956 (English)

19 October 2016

chemical formula

C₃₁H₃₇N₃O₅

1 reference

CHEMBL434956 (English)

19 October 2016

canonical SMILES

COC1=CC=CC=C1COCCCOC2=CC=C(C=C2)N3C(CNCC3=O)COC4=CC5=C(CCCN5)C=C4

1 reference

CHEMBL434956 (English)

19 October 2016

isomeric SMILES

COC1=CC=CC=C1COCCCOC2=CC=C(C=C2)N3[C@@H](CNCC3=O)COC4=CC5=C(CCCN5)C=C4

1 reference

CHEMBL434956 (English)

InChI=1S/C31H37N3O5/c1-36-30-8-3-2-6-24(30)21-37-16-5-17-38-27-13-10-25(11-14-27)34-26(19-32-20-31(34)35)22-39-28-12-9-23-7-4-15-33-29(23)18-28/h2-3,6,8-14,18,26,32-33H,4-5,7,15-17,19-22H2,1H3/t26-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL434956 (English)

JXFXZCANEQOOHW-SANMLTNESA-N

19 October 2016

InChIKey

1 reference

CHEMBL434956 (English)

19 October 2016

1 reference

(6S)-1-(4-{3-[(2-Methoxybenzyl)oxy]propoxy}phenyl)-6-[(1,2,3,4-tetrahydro-7-quinolinyloxy)methyl]-2-piperazinone (English)

19 October 2016

2 references

CHEMBL434956 (English)

matched by identifier from

19 October 2016

InChIKey

JXFXZCANEQOOHW-SANMLTNESA-N

1 reference

CHEMBL434956 (English)

19 October 2016

1 reference

1 reference

2BKT (English)