1-[[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]methyl-ethyl-amino]cyclopropane-1-carboxamide

Systemtic Name: 1-[[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]methyl-ethyl-amino]cyclopropane-1-carboxamide Openeye Name: 1-[[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]methyl-ethyl-amino]cyclopropanecarboxamide CAS Name: 1-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]methyl-ethylamino]-1-cyclopropanecarboxamide IUPAC Name: 1-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-ethylamino]cyclopropane-1-carboxamide Traditional Name: 1-[[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]methyl-ethyl-amino]cyclopropanecarboxamide Formula: C22H23ClFN5O2 MolecularWeight: 443.901723

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F)OC)C4(CC4)C(=O)N

Isomeric SMILES

CCN(CC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F)OC)C4(CC4)C(=O)N

InChI

InChI=1S/C22H23ClFN5O2/c1-3-29(22(7-8-22)21(25)30)11-13-9-14-17(10-18(13)31-2)26-12-27-20(14)28-16-6-4-5-15(23)19(16)24/h4-6,9-10,12H,3,7-8,11H2,1-2H3,(H2,25,30)(H,26,27,28)