4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-6-morpholin-4-yl-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-6-morpholin-4-yl-quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-7-methoxy-6-morpholino-quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-7-methoxy-6-(4-morpholinyl)-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-7-methoxy-6-morpholin-4-ylquinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-7-methoxy-6-morpholino-quinoline-3-carbonitrile Formula: C21H18ClFN4O2 MolecularWeight: 412.844623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)N4CCOCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)N4CCOCC4

InChI

InChI=1S/C21H18ClFN4O2/c1-28-20-10-18-15(9-19(20)27-4-6-29-7-5-27)21(13(11-24)12-25-18)26-14-2-3-17(23)16(22)8-14/h2-3,8-10,12H,4-7H2,1H3,(H,25,26)