2-[(E)-2-[3-(2-chloranylpyridin-3-yl)-6-fluoranyl-4-oxidanylidene-quinazolin-2-yl]ethenyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-2-[3-(2-chloranylpyridin-3-yl)-6-fluoranyl-4-oxidanylidene-quinazolin-2-yl]ethenyl]benzenecarbonitrile Openeye Name: 2-[(E)-2-[3-(2-chloro-3-pyridyl)-6-fluoro-4-oxo-quinazolin-2-yl]vinyl]benzonitrile CAS Name: 2-[(E)-2-[3-(2-chloro-3-pyridinyl)-6-fluoro-4-oxo-2-quinazolinyl]ethenyl]benzonitrile IUPAC Name: 2-[(E)-2-[3-(2-chloropyridin-3-yl)-6-fluoro-4-oxoquinazolin-2-yl]ethenyl]benzonitrile Traditional Name: 2-[(E)-2-[3-(2-chloro-3-pyridyl)-6-fluoro-4-keto-quinazolin-2-yl]vinyl]benzonitrile Formula: C22H12ClFN4O MolecularWeight: 402.808283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC2=NC3=C(C=C(C=C3)F)C(=O)N2C4=C(N=CC=C4)Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C2=NC3=C(C=C(C=C3)F)C(=O)N2C4=C(N=CC=C4)Cl)C#N

InChI

InChI=1S/C22H12ClFN4O/c23-21-19(6-3-11-26-21)28-20(10-7-14-4-1-2-5-15(14)13-25)27-18-9-8-16(24)12-17(18)22(28)29/h1-12H/b10-7+