6-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-N-oxidanyl-hex-5-ynamide

Systemtic Name: 6-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]-N-oxidanyl-hex-5-ynamide Openeye Name: 6-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]hex-5-ynehydroxamic acid CAS Name: 6-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-N-hydroxy-5-hexynamide IUPAC Name: 6-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-N-hydroxyhex-5-ynamide Traditional Name: 6-[4-(3-chloro-4-fluoro-anilino)-7-methoxy-quinazolin-6-yl]hex-5-ynehydroxamic acid Formula: C21H18ClFN4O3 MolecularWeight: 428.844023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1C#CCCCC(=O)NO)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC2=C(C=C1C#CCCCC(=O)NO)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H18ClFN4O3/c1-30-19-11-18-15(9-13(19)5-3-2-4-6-20(28)27-29)21(25-12-24-18)26-14-7-8-17(23)16(22)10-14/h7-12,29H,2,4,6H2,1H3,(H,27,28)(H,24,25,26)