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

Systemtic Name: (2S)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-1-prop-2-enoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-1-prop-2-enoyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-1-(1-oxoprop-2-enyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-1-prop-2-enoylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-acryloyl-N-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]pyrrolidine-2-carboxamide Formula: C23H21ClFN5O3 MolecularWeight: 469.895943

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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)C4CCCN4C(=O)C=C

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClFN5O3/c1-3-21(31)30-8-4-5-19(30)23(32)29-18-10-14-17(11-20(18)33-2)26-12-27-22(14)28-13-6-7-16(25)15(24)9-13/h3,6-7,9-12,19H,1,4-5,8H2,2H3,(H,29,32)(H,26,27,28)/t19-/m0/s1