2-[(E)-2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-cyano-ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-cyano-ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-cyano-vinyl]quinazolin-4-olate CAS Name: 2-[(E)-2-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-1-cyanoethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-cyanoethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-2-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-cyano-vinyl]quinazolin-4-olate Formula: C26H15ClN5O- MolecularWeight: 448.8832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C=C(C#N)C4=NC5=CC=CC=C5C(=N4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)/C=C(\C#N)/C4=NC5=CC=CC=C5C(=N4)[O-]

InChI

InChI=1S/C26H16ClN5O/c27-20-12-10-17(11-13-20)24-19(16-32(31-24)21-6-2-1-3-7-21)14-18(15-28)25-29-23-9-5-4-8-22(23)26(33)30-25/h1-14,16H,(H,29,30,33)/p-1/b18-14+