2-[(E)-1-cyano-2-(1,3-diphenylpyrazol-4-yl)ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-1-cyano-2-(1,3-diphenylpyrazol-4-yl)ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-1-cyano-2-(1,3-diphenylpyrazol-4-yl)vinyl]quinazolin-4-olate CAS Name: 2-[(E)-1-cyano-2-(1,3-diphenyl-4-pyrazolyl)ethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-1-cyano-2-(1,3-diphenylpyrazol-4-yl)ethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-1-cyano-2-(1,3-diphenylpyrazol-4-yl)vinyl]quinazolin-4-olate Formula: C26H16N5O- MolecularWeight: 414.43814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4C(=N3)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4C(=N3)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H17N5O/c27-16-19(25-28-23-14-8-7-13-22(23)26(32)29-25)15-20-17-31(21-11-5-2-6-12-21)30-24(20)18-9-3-1-4-10-18/h1-15,17H,(H,28,29,32)/p-1/b19-15+