(2E)-2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methoxy-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-5-methoxy-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methoxy-3-oxo-pentanenitrile CAS Name: (2E)-2-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-5-methoxy-3-oxopentanenitrile IUPAC Name: (2E)-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-5-methoxy-3-oxopentanenitrile Traditional Name: (E)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-(3-methoxypropanoyl)acrylonitrile Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O2/c1-28-12-11-21(27)17(14-24)13-18-15-26(20-5-3-2-4-6-20)25-22(18)16-7-9-19(23)10-8-16/h2-10,13,15H,11-12H2,1H3/b17-13+