2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-7-[3-(dimethylamino)propoxy]-6-methoxy-quinoline-3-carbonitrile

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-7-[3-(dimethylamino)propoxy]-6-methoxy-quinoline-3-carbonitrile Openeye Name: 2-(4-chloro-2-fluoro-anilino)-7-[3-(dimethylamino)propoxy]-6-methoxy-quinoline-3-carbonitrile CAS Name: 2-(4-chloro-2-fluoroanilino)-7-[3-(dimethylamino)propoxy]-6-methoxy-3-quinolinecarbonitrile IUPAC Name: 2-(4-chloro-2-fluoroanilino)-7-[3-(dimethylamino)propoxy]-6-methoxyquinoline-3-carbonitrile Traditional Name: 2-(4-chloro-2-fluoro-anilino)-7-[3-(dimethylamino)propoxy]-6-methoxy-quinoline-3-carbonitrile Formula: C22H22ClFN4O2 MolecularWeight: 428.887083

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOC1=C(C=C2C=C(C(=NC2=C1)NC3=C(C=C(C=C3)Cl)F)C#N)OC

Isomeric SMILES

CN(C)CCCOC1=C(C=C2C=C(C(=NC2=C1)NC3=C(C=C(C=C3)Cl)F)C#N)OC

InChI

InChI=1S/C22H22ClFN4O2/c1-28(2)7-4-8-30-21-12-19-14(10-20(21)29-3)9-15(13-25)22(27-19)26-18-6-5-16(23)11-17(18)24/h5-6,9-12H,4,7-8H2,1-3H3,(H,26,27)