2-[[[3-(2-chlorophenyl)-6-fluoranyl-4-oxidanylidene-quinazolin-2-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 2-[[[3-(2-chlorophenyl)-6-fluoranyl-4-oxidanylidene-quinazolin-2-yl]amino]methyl]benzenecarbonitrile Openeye Name: 2-[[[3-(2-chlorophenyl)-6-fluoro-4-oxo-quinazolin-2-yl]amino]methyl]benzonitrile CAS Name: 2-[[[3-(2-chlorophenyl)-6-fluoro-4-oxo-2-quinazolinyl]amino]methyl]benzonitrile IUPAC Name: 2-[[[3-(2-chlorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]amino]methyl]benzonitrile Traditional Name: 2-[[[3-(2-chlorophenyl)-6-fluoro-4-keto-quinazolin-2-yl]amino]methyl]benzonitrile Formula: C22H14ClFN4O MolecularWeight: 404.824163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC3=C(C=C(C=C3)F)C(=O)N2C4=CC=CC=C4Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC3=C(C=C(C=C3)F)C(=O)N2C4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C22H14ClFN4O/c23-18-7-3-4-8-20(18)28-21(29)17-11-16(24)9-10-19(17)27-22(28)26-13-15-6-2-1-5-14(15)12-25/h1-11H,13H2,(H,26,27)