(2E)-4,4-dimethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]methylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-4,4-dimethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-4,4-dimethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]methylene]-3-oxo-pentanenitrile CAS Name: (2E)-4,4-dimethyl-2-[[4-(4-methyl-1-piperazinyl)phenyl]methylidene]-3-oxopentanenitrile IUPAC Name: (2E)-4,4-dimethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]methylidene]-3-oxopentanenitrile Traditional Name: (E)-3-[4-(4-methylpiperazino)phenyl]-2-pivaloyl-acrylonitrile Formula: C19H25N3O MolecularWeight: 311.4213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=C(C=C1)N2CCN(CC2)C)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC=C(C=C1)N2CCN(CC2)C)/C#N

InChI

InChI=1S/C19H25N3O/c1-19(2,3)18(23)16(14-20)13-15-5-7-17(8-6-15)22-11-9-21(4)10-12-22/h5-8,13H,9-12H2,1-4H3/b16-13+