2-[(E)-1-cyano-2-[3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1-phenyl-pyrazol-4-yl]ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-1-cyano-2-[3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1-phenyl-pyrazol-4-yl]ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-1-cyano-2-[3-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]-1-phenyl-pyrazol-4-yl]vinyl]quinazolin-4-olate CAS Name: 2-[(E)-1-cyano-2-[3-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]-1-phenyl-4-pyrazolyl]ethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-1-cyano-2-[3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1-phenylpyrazol-4-yl]ethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-1-cyano-2-[3-[(2S)-2-methylcoumaran-5-yl]-1-phenyl-pyrazol-4-yl]vinyl]quinazolin-4-olate Formula: C29H20N5O2- MolecularWeight: 470.5014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=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

C[C@H]1CC2=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/C29H21N5O2/c1-18-13-20-14-19(11-12-26(20)36-18)27-22(17-34(33-27)23-7-3-2-4-8-23)15-21(16-30)28-31-25-10-6-5-9-24(25)29(35)32-28/h2-12,14-15,17-18H,13H2,1H3,(H,31,32,35)/p-1/b21-15+/t18-/m0/s1