8-bromanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-[2-(1H-imidazol-5-yl)ethylamino]quinoline-3-carbonitrile

Systemtic Name: 8-bromanyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-[2-(1H-imidazol-5-yl)ethylamino]quinoline-3-carbonitrile Openeye Name: 8-bromo-4-(3-chloro-4-fluoro-anilino)-6-[2-(1H-imidazol-5-yl)ethylamino]quinoline-3-carbonitrile CAS Name: 8-bromo-4-(3-chloro-4-fluoroanilino)-6-[2-(1H-imidazol-5-yl)ethylamino]-3-quinolinecarbonitrile IUPAC Name: 8-bromo-4-(3-chloro-4-fluoroanilino)-6-[2-(1H-imidazol-5-yl)ethylamino]quinoline-3-carbonitrile Traditional Name: 8-bromo-4-(3-chloro-4-fluoro-anilino)-6-[2-(1H-imidazol-5-yl)ethylamino]quinoline-3-carbonitrile Formula: C21H15BrClFN6 MolecularWeight: 485.739403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=NC3=C(C=C(C=C32)NCCC4=CN=CN4)Br)C#N)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=NC3=C(C=C(C=C32)NCCC4=CN=CN4)Br)C#N)Cl)F

InChI

InChI=1S/C21H15BrClFN6/c22-17-6-15(27-4-3-14-10-26-11-29-14)5-16-20(12(8-25)9-28-21(16)17)30-13-1-2-19(24)18(23)7-13/h1-2,5-7,9-11,27H,3-4H2,(H,26,29)(H,28,30)