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

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]-N'-oxidanyl-pentanediamide Openeye Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-5-(hydroxyamino)-5-oxo-pentanamide CAS Name: N-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]-N'-hydroxypentanediamide IUPAC Name: N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-N'-hydroxypentanediamide Traditional Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-5-(hydroxyamino)-5-keto-valeramide Formula: C22H21N5O4 MolecularWeight: 419.43324

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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)CCCC(=O)NO

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4/c1-3-14-6-4-7-15(10-14)25-22-16-11-18(19(31-2)12-17(16)23-13-24-22)26-20(28)8-5-9-21(29)27-30/h1,4,6-7,10-13,30H,5,8-9H2,2H3,(H,26,28)(H,27,29)(H,23,24,25)