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

Systemtic Name: 1-[[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]methyl-methyl-amino]cyclopent-3-ene-1-carboxamide Openeye Name: 1-[[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]methyl-methyl-amino]cyclopent-3-ene-1-carboxamide CAS Name: 1-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]methyl-methylamino]-1-cyclopent-3-enecarboxamide IUPAC Name: 1-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl-methylamino]cyclopent-3-ene-1-carboxamide Traditional Name: 1-[[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]methyl-methyl-amino]cyclopent-3-ene-1-carboxamide Formula: C23H23ClFN5O2 MolecularWeight: 455.912423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClFN5O2/c1-30(23(22(26)31)8-3-4-9-23)12-14-10-15-18(11-19(14)32-2)27-13-28-21(15)29-17-7-5-6-16(24)20(17)25/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,26,31)(H,27,28,29)