4-[[4-[3-(4-ethoxyphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(4-ethoxyphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(4-ethoxyphenoxy)-2-hydroxy-propyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(4-ethoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(4-ethoxyphenoxy)-2-hydroxy-propyl]piperazino]methyl]benzonitrile Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C23H29N3O3/c1-2-28-22-7-9-23(10-8-22)29-18-21(27)17-26-13-11-25(12-14-26)16-20-5-3-19(15-24)4-6-20/h3-10,21,27H,2,11-14,16-18H2,1H3