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

Systemtic Name: 2-[(E)-1-cyano-2-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-1-cyano-2-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]vinyl]quinazolin-4-olate CAS Name: 2-[(E)-1-cyano-2-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)ethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-1-cyano-2-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)ethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-1-cyano-2-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]vinyl]quinazolin-4-olate Formula: C25H15N6O- MolecularWeight: 415.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H16N6O/c26-15-18(24-28-22-9-5-4-8-21(22)25(32)29-24)14-19-16-31(20-6-2-1-3-7-20)30-23(19)17-10-12-27-13-11-17/h1-14,16H,(H,28,29,32)/p-1/b18-14+