4-[[4-[2,6-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2,6-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2,6-difluorophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,6-difluorobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,6-difluorobenzoyl)piperazino]methyl]benzonitrile Formula: C19H17F2N3O MolecularWeight: 341.354586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C19H17F2N3O/c20-16-2-1-3-17(21)18(16)19(25)24-10-8-23(9-11-24)13-15-6-4-14(12-22)5-7-15/h1-7H,8-11,13H2