3-[(4Z)-4-[(4-butoxy-3-ethoxy-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[(4Z)-4-[(4-butoxy-3-ethoxy-phenyl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[(4Z)-4-[(4-butoxy-3-ethoxy-phenyl)methylene]-5-oxo-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[(4Z)-4-[(4-butoxy-3-ethoxyphenyl)methylidene]-5-oxo-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[(4Z)-4-[(4-butoxy-3-ethoxyphenyl)methylidene]-5-oxo-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[(4Z)-4-(4-butoxy-3-ethoxy-benzylidene)-5-keto-3-phenyl-2-pyrazolin-1-yl]propionitrile Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)CCC#N)C3=CC=CC=C3)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C\2/C(=NN(C2=O)CCC#N)C3=CC=CC=C3)OCC

InChI

InChI=1S/C25H27N3O3/c1-3-5-16-31-22-13-12-19(18-23(22)30-4-2)17-21-24(20-10-7-6-8-11-20)27-28(25(21)29)15-9-14-26/h6-8,10-13,17-18H,3-5,9,15-16H2,1-2H3/b21-17-