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

Systemtic Name: 4-[[4-[3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(4-acetylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-(4-acetylphenoxy)-2-hydroxypropyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(4-acetylphenoxy)-2-hydroxypropyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(4-acetylphenoxy)-2-hydroxy-propyl]piperazino]methyl]benzonitrile Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c1-18(27)21-6-8-23(9-7-21)29-17-22(28)16-26-12-10-25(11-13-26)15-20-4-2-19(14-24)3-5-20/h2-9,22,28H,10-13,15-17H2,1H3