(E)-N-[4-[(3-bromanyl-4-fluoranyl-phenyl)amino]-3-cyano-7-methoxy-quinolin-6-yl]-4-morpholin-4-yl-but-2-enamide

Systemtic Name: (E)-N-[4-[(3-bromanyl-4-fluoranyl-phenyl)amino]-3-cyano-7-methoxy-quinolin-6-yl]-4-morpholin-4-yl-but-2-enamide Openeye Name: (E)-N-[4-(3-bromo-4-fluoro-anilino)-3-cyano-7-methoxy-6-quinolyl]-4-morpholino-but-2-enamide CAS Name: (E)-N-[4-(3-bromo-4-fluoroanilino)-3-cyano-7-methoxy-6-quinolinyl]-4-(4-morpholinyl)-2-butenamide IUPAC Name: (E)-N-[4-(3-bromo-4-fluoroanilino)-3-cyano-7-methoxyquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide Traditional Name: (E)-N-[4-(3-bromo-4-fluoro-anilino)-3-cyano-7-methoxy-6-quinolyl]-4-morpholino-but-2-enamide Formula: C25H23BrFN5O3 MolecularWeight: 540.384223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Br)C#N)NC(=O)C=CCN4CCOCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Br)C#N)NC(=O)/C=C/CN4CCOCC4

InChI

InChI=1S/C25H23BrFN5O3/c1-34-23-13-21-18(12-22(23)31-24(33)3-2-6-32-7-9-35-10-8-32)25(16(14-28)15-29-21)30-17-4-5-20(27)19(26)11-17/h2-5,11-13,15H,6-10H2,1H3,(H,29,30)(H,31,33)/b3-2+