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

Systemtic Name: N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-N'-oxidanyl-hexanediamide Openeye Name: N-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-6-(hydroxyamino)-6-oxo-hexanamide CAS Name: N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-N'-hydroxyhexanediamide IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-N'-hydroxyhexanediamide Traditional Name: N-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]-6-(hydroxyamino)-6-keto-hexanamide Formula: C21H21ClFN5O4 MolecularWeight: 461.873943

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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)CCCCC(=O)NO

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFN5O4/c1-32-18-10-16-13(9-17(18)27-19(29)4-2-3-5-20(30)28-31)21(25-11-24-16)26-12-6-7-15(23)14(22)8-12/h6-11,31H,2-5H2,1H3,(H,27,29)(H,28,30)(H,24,25,26)