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

Systemtic Name: (2E)-4-methyl-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-methyl-3-oxo-pentanenitrile CAS Name: (2E)-4-methyl-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-methyl-3-oxopentanenitrile Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-isobutyryl-acrylonitrile Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O/c1-16(2)22(27)19(12-23)11-20-15-26(14-17-7-4-3-5-8-17)25-21(20)18-9-6-10-24-13-18/h3-11,13,15-16H,14H2,1-2H3/b19-11+