N-[7-[(2S)-2-acetamidopropoxy]-4-[(4-bromanyl-2-fluoranyl-phenyl)amino]quinazolin-6-yl]prop-2-enamide

Systemtic Name: N-[7-[(2S)-2-acetamidopropoxy]-4-[(4-bromanyl-2-fluoranyl-phenyl)amino]quinazolin-6-yl]prop-2-enamide Openeye Name: N-[7-[(2S)-2-acetamidopropoxy]-4-(4-bromo-2-fluoro-anilino)quinazolin-6-yl]prop-2-enamide CAS Name: N-[7-[(2S)-2-acetamidopropoxy]-4-(4-bromo-2-fluoroanilino)-6-quinazolinyl]-2-propenamide IUPAC Name: N-[7-[(2S)-2-acetamidopropoxy]-4-(4-bromo-2-fluoroanilino)quinazolin-6-yl]prop-2-enamide Traditional Name: N-[7-[(2S)-2-acetamidopropoxy]-4-(4-bromo-2-fluoro-anilino)quinazolin-6-yl]acrylamide Formula: C22H21BrFN5O3 MolecularWeight: 502.336243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C=C(C=C3)Br)F)NC(=O)C=C)NC(=O)C

InChI

InChI=1S/C22H21BrFN5O3/c1-4-21(31)28-19-8-15-18(9-20(19)32-10-12(2)27-13(3)30)25-11-26-22(15)29-17-6-5-14(23)7-16(17)24/h4-9,11-12H,1,10H2,2-3H3,(H,27,30)(H,28,31)(H,25,26,29)/t12-/m0/s1