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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-6-(1H-imidazol-5-ylmethylamino)-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile Formula: C20H14ClFN6 MolecularWeight: 392.816763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C3C=C(C=CC3=NC=C2C#N)NCC4=CN=CN4)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC2=C3C=C(C=CC3=NC=C2C#N)NCC4=CN=CN4)Cl)F

InChI

InChI=1S/C20H14ClFN6/c21-17-6-14(1-3-18(17)22)28-20-12(7-23)8-26-19-4-2-13(5-16(19)20)25-10-15-9-24-11-27-15/h1-6,8-9,11,25H,10H2,(H,24,27)(H,26,28)