4-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-methylphenoxy)ethyl]piperazino]methyl]benzonitrile Formula: C21H25N3O MolecularWeight: 335.4427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)OCCN2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N3O/c1-18-2-8-21(9-3-18)25-15-14-23-10-12-24(13-11-23)17-20-6-4-19(16-22)5-7-20/h2-9H,10-15,17H2,1H3