N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-N'-oxidanyl-pentanediamide

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-N'-oxidanyl-pentanediamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-5-(hydroxyamino)-5-oxo-pentanamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-N'-hydroxypentanediamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-N'-hydroxypentanediamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-5-(hydroxyamino)-5-keto-valeramide Formula: C20H19ClFN5O4 MolecularWeight: 447.847363

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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)CCCC(=O)NO

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)CCCC(=O)NO

InChI

InChI=1S/C20H19ClFN5O4/c1-31-17-9-15-12(8-16(17)26-18(28)3-2-4-19(29)27-30)20(24-10-23-15)25-11-5-6-14(22)13(21)7-11/h5-10,30H,2-4H2,1H3,(H,26,28)(H,27,29)(H,23,24,25)