2-[(E)-1-cyano-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-1-cyano-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-1-cyano-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]vinyl]quinazolin-4-olate CAS Name: 2-[(E)-1-cyano-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolyl]ethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-1-cyano-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]ethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-1-cyano-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazol-4-yl]vinyl]quinazolin-4-olate Formula: C28H18N5O3- MolecularWeight: 472.47422

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)C4=NC5=CC=CC=C5C(=N4)[O-])C6=CC=CC=C6

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3/C=C(\C#N)/C4=NC5=CC=CC=C5C(=N4)[O-])C6=CC=CC=C6

InChI

InChI=1S/C28H19N5O3/c29-16-19(27-30-23-9-5-4-8-22(23)28(34)31-27)14-20-17-33(21-6-2-1-3-7-21)32-26(20)18-10-11-24-25(15-18)36-13-12-35-24/h1-11,14-15,17H,12-13H2,(H,30,31,34)/p-1/b19-14+