4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(pyridin-2-ylmethylamino)quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(pyridin-2-ylmethylamino)quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-6-(2-pyridylmethylamino)quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-6-(2-pyridinylmethylamino)-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-6-(pyridin-2-ylmethylamino)quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-6-(2-pyridylmethylamino)quinoline-3-carbonitrile Formula: C22H15ClFN5 MolecularWeight: 403.839403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=NC(=C1)CNC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H15ClFN5/c23-19-10-16(4-6-20(19)24)29-22-14(11-25)12-28-21-7-5-15(9-18(21)22)27-13-17-3-1-2-8-26-17/h1-10,12,27H,13H2,(H,28,29)