4-[[4-[2-(3,5-dimethylphenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3,5-dimethylphenoxy)ethanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(3,5-dimethylphenoxy)-1-oxoethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3,5-dimethylphenoxy)acetyl]piperazino]methyl]benzonitrile Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c1-17-11-18(2)13-21(12-17)27-16-22(26)25-9-7-24(8-10-25)15-20-5-3-19(14-23)4-6-20/h3-6,11-13H,7-10,15-16H2,1-2H3