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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-6-(oxolan-2-ylmethylamino)quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-6-(tetrahydrofuran-2-ylmethylamino)quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-6-(2-oxolanylmethylamino)-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-6-(oxolan-2-ylmethylamino)quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-6-(tetrahydrofurfurylamino)quinoline-3-carbonitrile Formula: C21H18ClFN4O MolecularWeight: 396.845223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CC(OC1)CNC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H18ClFN4O/c22-18-9-15(3-5-19(18)23)27-21-13(10-24)11-26-20-6-4-14(8-17(20)21)25-12-16-2-1-7-28-16/h3-6,8-9,11,16,25H,1-2,7,12H2,(H,26,27)