2-[4-[2-(3,4-dimethylphenoxy)ethanoyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[2-(3,4-dimethylphenoxy)ethanoyl]piperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[2-(3,4-dimethylphenoxy)-1-oxoethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-[2-(3,4-dimethylphenoxy)acetyl]piperazino]-6-fluoro-benzonitrile Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O2/c1-15-6-7-17(12-16(15)2)27-14-21(26)25-10-8-24(9-11-25)20-5-3-4-19(22)18(20)13-23/h3-7,12H,8-11,14H2,1-2H3