3-[[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(2,4-difluorophenyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(2,4-difluorophenyl)piperazino]methyl]benzonitrile Formula: C18H17F2N3 MolecularWeight: 313.344486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=C(C=C(C=C3)F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C18H17F2N3/c19-16-4-5-18(17(20)11-16)23-8-6-22(7-9-23)13-15-3-1-2-14(10-15)12-21/h1-5,10-11H,6-9,13H2