6-bromanyl-2-[(E)-1-cyano-2-(1-phenylpyrazol-4-yl)ethenyl]quinazolin-4-olate

Systemtic Name: 6-bromanyl-2-[(E)-1-cyano-2-(1-phenylpyrazol-4-yl)ethenyl]quinazolin-4-olate Openeye Name: 6-bromo-2-[(E)-1-cyano-2-(1-phenylpyrazol-4-yl)vinyl]quinazolin-4-olate CAS Name: 6-bromo-2-[(E)-1-cyano-2-(1-phenyl-4-pyrazolyl)ethenyl]-4-quinazolinolate IUPAC Name: 6-bromo-2-[(E)-1-cyano-2-(1-phenylpyrazol-4-yl)ethenyl]quinazolin-4-olate Traditional Name: 6-bromo-2-[(E)-1-cyano-2-(1-phenylpyrazol-4-yl)vinyl]quinazolin-4-olate Formula: C20H11BrN5O- MolecularWeight: 417.23824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C(C#N)C3=NC4=C(C=C(C=C4)Br)C(=N3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C(\C#N)/C3=NC4=C(C=C(C=C4)Br)C(=N3)[O-]

InChI

InChI=1S/C20H12BrN5O/c21-15-6-7-18-17(9-15)20(27)25-19(24-18)14(10-22)8-13-11-23-26(12-13)16-4-2-1-3-5-16/h1-9,11-12H,(H,24,25,27)/p-1/b14-8+