4-[[4-[3,5-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3,5-bis(fluoranyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,5-difluorobenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3,5-difluorophenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3,5-difluorobenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3,5-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=CC(=CC(=C3)F)F

Isomeric SMILES

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

InChI

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