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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-8-ethanoyl-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile Openeye Name: 8-acetyl-4-(3-chloro-4-fluoro-anilino)-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile CAS Name: 8-acetyl-4-(3-chloro-4-fluoroanilino)-6-(1H-imidazol-5-ylmethylamino)-3-quinolinecarbonitrile IUPAC Name: 8-acetyl-4-(3-chloro-4-fluoroanilino)-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile Traditional Name: 8-acetyl-4-(3-chloro-4-fluoro-anilino)-6-(1H-imidazol-5-ylmethylamino)quinoline-3-carbonitrile Formula: C22H16ClFN6O MolecularWeight: 434.853443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C(=CC(=C1)NCC3=CN=CN3)C(=C(C=N2)C#N)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC(=O)C1=C2C(=CC(=C1)NCC3=CN=CN3)C(=C(C=N2)C#N)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H16ClFN6O/c1-12(31)17-4-15(27-10-16-9-26-11-29-16)5-18-21(13(7-25)8-28-22(17)18)30-14-2-3-20(24)19(23)6-14/h2-6,8-9,11,27H,10H2,1H3,(H,26,29)(H,28,30)