4-[[4-[2-(2,4,6-trimethylphenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2,4,6-trimethylphenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-(2,4,6-trimethylphenoxy)ethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazino]methyl]benzonitrile Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C23H27N3O2/c1-17-12-18(2)23(19(3)13-17)28-16-22(27)26-10-8-25(9-11-26)15-21-6-4-20(14-24)5-7-21/h4-7,12-13H,8-11,15-16H2,1-3H3