(E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-4-imidazol-1-yl-but-2-enamide

Systemtic Name: (E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-4-imidazol-1-yl-but-2-enamide Openeye Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-4-imidazol-1-yl-but-2-enamide CAS Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-imidazolyl)-2-butenamide IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-imidazol-1-ylbut-2-enamide Traditional Name: (E)-N-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-4-imidazol-1-yl-but-2-enamide Formula: C22H18ClFN6O2 MolecularWeight: 452.868723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4C=CN=C4

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4C=CN=C4

InChI

InChI=1S/C22H18ClFN6O2/c1-32-20-11-18-15(10-19(20)29-21(31)3-2-7-30-8-6-25-13-30)22(27-12-26-18)28-14-4-5-17(24)16(23)9-14/h2-6,8-13H,7H2,1H3,(H,29,31)(H,26,27,28)/b3-2+