4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-5-yl]benzenecarbonitrile

Systemtic Name: 4-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]quinazolin-5-yl]benzenecarbonitrile Openeye Name: 4-[4-(3-chloro-4-fluoro-anilino)quinazolin-5-yl]benzonitrile CAS Name: 4-[4-(3-chloro-4-fluoroanilino)-5-quinazolinyl]benzonitrile IUPAC Name: 4-[4-(3-chloro-4-fluoroanilino)quinazolin-5-yl]benzonitrile Traditional Name: 4-[4-(3-chloro-4-fluoro-anilino)quinazolin-5-yl]benzonitrile Formula: C21H12ClFN4 MolecularWeight: 374.798183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC(=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H12ClFN4/c22-17-10-15(8-9-18(17)23)27-21-20-16(2-1-3-19(20)25-12-26-21)14-6-4-13(11-24)5-7-14/h1-10,12H,(H,25,26,27)