3-[(4E)-4-[(1,3-diphenylpyrazol-4-yl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[(4E)-4-[(1,3-diphenylpyrazol-4-yl)methylidene]-5-oxidanylidene-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[(4E)-4-[(1,3-diphenylpyrazol-4-yl)methylene]-5-oxo-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[(4E)-4-[(1,3-diphenyl-4-pyrazolyl)methylidene]-5-oxo-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[(4E)-4-[(1,3-diphenylpyrazol-4-yl)methylidene]-5-oxo-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[(4E)-4-[(1,3-diphenylpyrazol-4-yl)methylene]-5-keto-3-phenyl-2-pyrazolin-1-yl]propionitrile Formula: C28H21N5O MolecularWeight: 443.49924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)CCC#N)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C/3\C(=NN(C3=O)CCC#N)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H21N5O/c29-17-10-18-32-28(34)25(27(31-32)22-13-6-2-7-14-22)19-23-20-33(24-15-8-3-9-16-24)30-26(23)21-11-4-1-5-12-21/h1-9,11-16,19-20H,10,18H2/b25-19+