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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)F)CNC4=CC=CC(=C4)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=NC3=C(C2=O)C=C(C=C3)F)CNC4=CC=CC(=C4)C#N)Cl

InChI

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