N-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]-N'-oxidanyl-octanediamide

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]-N'-oxidanyl-octanediamide Openeye Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-8-(hydroxyamino)-8-oxo-octanamide CAS Name: N-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]-N'-hydroxyoctanediamide IUPAC Name: N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-N'-hydroxyoctanediamide Traditional Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-8-(hydroxyamino)-8-keto-caprylamide Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)NC(=O)CCCCCCC(=O)NO

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)NC(=O)CCCCCCC(=O)NO

InChI

InChI=1S/C25H27N5O4/c1-3-17-9-8-10-18(13-17)28-25-19-14-21(22(34-2)15-20(19)26-16-27-25)29-23(31)11-6-4-5-7-12-24(32)30-33/h1,8-10,13-16,33H,4-7,11-12H2,2H3,(H,29,31)(H,30,32)(H,26,27,28)