4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-6-[(E)-4-morpholin-4-yl-4-oxidanylidene-but-2-enyl]quinoline-3-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-6-[(E)-4-morpholin-4-yl-4-oxidanylidene-but-2-enyl]quinoline-3-carbonitrile Openeye Name: 4-(3-chloro-4-fluoro-anilino)-7-methoxy-6-[(E)-4-morpholino-4-oxo-but-2-enyl]quinoline-3-carbonitrile CAS Name: 4-(3-chloro-4-fluoroanilino)-7-methoxy-6-[(E)-4-(4-morpholinyl)-4-oxobut-2-enyl]-3-quinolinecarbonitrile IUPAC Name: 4-(3-chloro-4-fluoroanilino)-7-methoxy-6-[(E)-4-morpholin-4-yl-4-oxobut-2-enyl]quinoline-3-carbonitrile Traditional Name: 4-(3-chloro-4-fluoro-anilino)-6-[(E)-4-keto-4-morpholino-but-2-enyl]-7-methoxy-quinoline-3-carbonitrile Formula: C25H22ClFN4O3 MolecularWeight: 480.918583

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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)CC=CC(=O)N4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClFN4O3/c1-33-23-13-22-19(11-16(23)3-2-4-24(32)31-7-9-34-10-8-31)25(17(14-28)15-29-22)30-18-5-6-21(27)20(26)12-18/h2,4-6,11-13,15H,3,7-10H2,1H3,(H,29,30)/b4-2+