4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-[(5-methyl-1H-imidazol-4-yl)methylamino]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-[(5-methyl-1H-imidazol-4-yl)methylamino]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-6-[(5-methyl-1H-imidazol-4-yl)methylamino]quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-6-[(5-methyl-1H-imidazol-4-yl)methylamino]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-6-[(5-methyl-1H-imidazol-4-yl)methylamino]quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-6-[(5-methyl-1H-imidazol-4-yl)methylamino]quinoline-3-carbonitrile Formula: C21H16ClFN6 MolecularWeight: 406.843343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CNC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(N=CN1)CNC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H16ClFN6/c1-12-20(28-11-27-12)10-25-14-3-5-19-16(6-14)21(13(8-24)9-26-19)29-15-2-4-18(23)17(22)7-15/h2-7,9,11,25H,10H2,1H3,(H,26,29)(H,27,28)