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

Systemtic Name: (2E)-4,4-dimethyl-3-oxidanylidene-2-[[1-(phenylmethyl)pyrazol-4-yl]methylidene]pentanenitrile Openeye Name: (2E)-2-[(1-benzylpyrazol-4-yl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-4,4-dimethyl-3-oxo-2-[[1-(phenylmethyl)-4-pyrazolyl]methylidene]pentanenitrile IUPAC Name: (2E)-2-[(1-benzylpyrazol-4-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)-2-pivaloyl-acrylonitrile Formula: C18H19N3O MolecularWeight: 293.36296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CN(N=C1)CC2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CN(N=C1)CC2=CC=CC=C2)/C#N

InChI

InChI=1S/C18H19N3O/c1-18(2,3)17(22)16(10-19)9-15-11-20-21(13-15)12-14-7-5-4-6-8-14/h4-9,11,13H,12H2,1-3H3/b16-9+