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

Systemtic Name: 2-[(E)-1-cyano-2-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-1-cyano-2-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]vinyl]quinazolin-4-olate CAS Name: 2-[(E)-1-cyano-2-[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]ethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-1-cyano-2-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]ethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-1-cyano-2-[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]vinyl]quinazolin-4-olate Formula: C27H18N5O2- MolecularWeight: 444.46412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H19N5O2/c1-34-22-11-7-8-18(15-22)25-20(17-32(31-25)21-9-3-2-4-10-21)14-19(16-28)26-29-24-13-6-5-12-23(24)27(33)30-26/h2-15,17H,1H3,(H,29,30,33)/p-1/b19-14+