4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-8-fluoranyl-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-8-fluoranyl-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-8-fluoro-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-8-fluoro-6-(1H-imidazol-5-ylmethylamino)-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-8-fluoro-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-8-fluoro-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile Formula: C20H13ClF2N6 MolecularWeight: 410.807226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=NC3=C(C=C(C=C32)NCC4=CN=CN4)F)C#N)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=NC3=C(C=C(C=C32)NCC4=CN=CN4)F)C#N)Cl)F

InChI

InChI=1S/C20H13ClF2N6/c21-16-4-12(1-2-17(16)22)29-19-11(6-24)7-27-20-15(19)3-13(5-18(20)23)26-9-14-8-25-10-28-14/h1-5,7-8,10,26H,9H2,(H,25,28)(H,27,29)