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

Systemtic Name: (2E)-4,4-dimethyl-3-oxidanylidene-2-[[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylidene]pentanenitrile Openeye Name: (2E)-2-[[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-4,4-dimethyl-3-oxo-2-[[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylidene]pentanenitrile IUPAC Name: (2E)-2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-pivaloyl-acrylonitrile Formula: C23H22N4O MolecularWeight: 370.44698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3)/C#N

InChI

InChI=1S/C23H22N4O/c1-23(2,3)22(28)19(13-24)12-20-16-27(15-17-8-5-4-6-9-17)26-21(20)18-10-7-11-25-14-18/h4-12,14,16H,15H2,1-3H3/b19-12+