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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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