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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(1H-imidazol-5-ylmethylamino)-8-oxidanyl-quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-8-hydroxy-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-8-hydroxy-6-(1H-imidazol-5-ylmethylamino)-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-8-hydroxy-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-8-hydroxy-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile Formula: C20H14ClFN6O MolecularWeight: 408.816163

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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)O)C#N)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClFN6O/c21-16-4-12(1-2-17(16)22)28-19-11(6-23)7-26-20-15(19)3-13(5-18(20)29)25-9-14-8-24-10-27-14/h1-5,7-8,10,25,29H,9H2,(H,24,27)(H,26,28)