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

Systemtic Name: (E)-4-bromanyl-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]but-2-enamide Openeye Name: (E)-4-bromo-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-ethoxy-6-quinolyl]but-2-enamide CAS Name: (E)-4-bromo-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-2-butenamide IUPAC Name: (E)-4-bromo-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]but-2-enamide Traditional Name: (E)-4-bromo-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-ethoxy-6-quinolyl]but-2-enamide Formula: C22H17BrClFN4O2 MolecularWeight: 503.751383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)C=CCBr

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CBr

InChI

InChI=1S/C22H17BrClFN4O2/c1-2-31-20-10-18-15(9-19(20)29-21(30)4-3-7-23)22(13(11-26)12-27-18)28-14-5-6-17(25)16(24)8-14/h3-6,8-10,12H,2,7H2,1H3,(H,27,28)(H,29,30)/b4-3+