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

Systemtic Name: 2-[(E)-1-cyano-2-[3-(3-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-1-cyano-2-[3-(3-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]vinyl]quinazolin-4-olate CAS Name: 2-[(E)-1-cyano-2-[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]ethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-1-cyano-2-[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]ethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-1-cyano-2-[3-(3-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]vinyl]quinazolin-4-olate Formula: C27H17FN5O2- MolecularWeight: 462.454583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4C(=N3)[O-])C5=CC=CC=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4C(=N3)[O-])C5=CC=CC=C5)F

InChI

InChI=1S/C27H18FN5O2/c1-35-24-12-11-17(14-22(24)28)25-19(16-33(32-25)20-7-3-2-4-8-20)13-18(15-29)26-30-23-10-6-5-9-21(23)27(34)31-26/h2-14,16H,1H3,(H,30,31,34)/p-1/b18-13+