2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetonitrile CAS Name: 2-[4-[(4-fluorophenyl)methyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetonitrile Traditional Name: 2-[4-(4-fluorobenzyl)piperazino]acetonitrile Formula: C13H16FN3 MolecularWeight: 233.284643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#N)CC2=CC=C(C=C2)F

Isomeric SMILES

C1CN(CCN1CC#N)CC2=CC=C(C=C2)F

InChI

InChI=1S/C13H16FN3/c14-13-3-1-12(2-4-13)11-17-9-7-16(6-5-15)8-10-17/h1-4H,6-11H2