8-chloranyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-[(1-methylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile

Systemtic Name: 8-chloranyl-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-[(1-methylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile Openeye Name: 8-chloro-4-(3-chloro-4-fluoro-anilino)-6-[(1-methylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile CAS Name: 8-chloro-4-(3-chloro-4-fluoroanilino)-6-[(1-methyl-4-pyrazolyl)methylamino]-3-quinolinecarbonitrile IUPAC Name: 8-chloro-4-(3-chloro-4-fluoroanilino)-6-[(1-methylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile Traditional Name: 8-chloro-4-(3-chloro-4-fluoro-anilino)-6-[(1-methylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile Formula: C21H15Cl2FN6 MolecularWeight: 441.288403

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC2=CC(=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)F)Cl)Cl

Isomeric SMILES

CN1C=C(C=N1)CNC2=CC(=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)F)Cl)Cl

InChI

InChI=1S/C21H15Cl2FN6/c1-30-11-12(9-28-30)8-26-15-4-16-20(29-14-2-3-19(24)17(22)5-14)13(7-25)10-27-21(16)18(23)6-15/h2-6,9-11,26H,8H2,1H3,(H,27,29)