(2Z)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2Z)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2Z)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2Z)-2-[[4-(2-fluorophenyl)-1-piperazinyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2Z)-2-[[4-(2-fluorophenyl)piperazin-1-yl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (Z)-3-[4-(2-fluorophenyl)piperazino]-2-pivaloyl-acrylonitrile Formula: C18H22FN3O MolecularWeight: 315.385183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CN1CCN(CC1)C2=CC=CC=C2F)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C\N1CCN(CC1)C2=CC=CC=C2F)/C#N

InChI

InChI=1S/C18H22FN3O/c1-18(2,3)17(23)14(12-20)13-21-8-10-22(11-9-21)16-7-5-4-6-15(16)19/h4-7,13H,8-11H2,1-3H3/b14-13-