2-[(E)-1-cyano-2-[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-1-cyano-2-[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-1-cyano-2-[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]vinyl]quinazolin-4-olate CAS Name: 2-[(E)-1-cyano-2-[3-(2,5-dimethylphenyl)-1-phenyl-4-pyrazolyl]ethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-1-cyano-2-[3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]ethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-1-cyano-2-[3-(2,5-dimethylphenyl)-1-phenyl-pyrazol-4-yl]vinyl]quinazolin-4-olate Formula: C28H20N5O- MolecularWeight: 442.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C=C2C=C(C#N)C3=NC4=CC=CC=C4C(=N3)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C=C2/C=C(\C#N)/C3=NC4=CC=CC=C4C(=N3)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H21N5O/c1-18-12-13-19(2)24(14-18)26-21(17-33(32-26)22-8-4-3-5-9-22)15-20(16-29)27-30-25-11-7-6-10-23(25)28(34)31-27/h3-15,17H,1-2H3,(H,30,31,34)/p-1/b20-15+