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

Systemtic Name: 3-[4-[2-(2,3-dimethylphenoxy)ethanoyl]piperazin-1-yl]propanenitrile Openeye Name: 3-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]propanenitrile CAS Name: 3-[4-[2-(2,3-dimethylphenoxy)-1-oxoethyl]-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]propanenitrile Traditional Name: 3-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazino]propionitrile Formula: C17H23N3O2 MolecularWeight: 301.38342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2/c1-14-5-3-6-16(15(14)2)22-13-17(21)20-11-9-19(10-12-20)8-4-7-18/h3,5-6H,4,8-13H2,1-2H3