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

Systemtic Name: (2Z)-4,4-dimethyl-3-oxidanylidene-2-[[4-(phenylmethyl)piperazin-1-yl]methylidene]pentanenitrile Openeye Name: (2Z)-2-[(4-benzylpiperazin-1-yl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2Z)-4,4-dimethyl-3-oxo-2-[[4-(phenylmethyl)-1-piperazinyl]methylidene]pentanenitrile IUPAC Name: (2Z)-2-[(4-benzylpiperazin-1-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (Z)-3-(4-benzylpiperazino)-2-pivaloyl-acrylonitrile Formula: C19H25N3O MolecularWeight: 311.4213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CN1CCN(CC1)CC2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C\N1CCN(CC1)CC2=CC=CC=C2)/C#N

InChI

InChI=1S/C19H25N3O/c1-19(2,3)18(23)17(13-20)15-22-11-9-21(10-12-22)14-16-7-5-4-6-8-16/h4-8,15H,9-12,14H2,1-3H3/b17-15-