N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(7-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(7-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(7-fluoro-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(7-fluoro-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(7-fluoro-4-keto-quinazolin-3-yl)acetamide Formula: C23H25FN4O5S MolecularWeight: 488.531803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C=NC4=C(C3=O)C=CC(=C4)F

InChI

InChI=1S/C23H25FN4O5S/c1-33-21-9-7-17(34(31,32)28-10-4-2-3-5-11-28)13-20(21)26-22(29)14-27-15-25-19-12-16(24)6-8-18(19)23(27)30/h6-9,12-13,15H,2-5,10-11,14H2,1H3,(H,26,29)