(2S)-N-[4-[(4-bromanyl-3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-1-prop-2-enoyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[4-[(4-bromanyl-3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-1-prop-2-enoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-(4-bromo-3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-1-prop-2-enoyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-(4-bromo-3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]-1-(1-oxoprop-2-enyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[4-(4-bromo-3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]-1-prop-2-enoylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-acryloyl-N-[4-(4-bromo-3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]pyrrolidine-2-carboxamide Formula: C23H20BrClFN5O3 MolecularWeight: 548.792003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=C(C=C3)Br)Cl)F)NC(=O)C4CCCN4C(=O)C=C

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=C(C=C3)Br)Cl)F)NC(=O)[C@@H]4CCCN4C(=O)C=C

InChI

InChI=1S/C23H20BrClFN5O3/c1-3-19(32)31-8-4-5-17(31)23(33)30-16-9-12-15(10-18(16)34-2)27-11-28-22(12)29-14-7-6-13(24)20(25)21(14)26/h3,6-7,9-11,17H,1,4-5,8H2,2H3,(H,30,33)(H,27,28,29)/t17-/m0/s1