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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

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