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

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]-N'-oxidanyl-hexanediamide Openeye Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-6-(hydroxyamino)-6-oxo-hexanamide CAS Name: N-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]-N'-hydroxyhexanediamide IUPAC Name: N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-N'-hydroxyhexanediamide Traditional Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-6-(hydroxyamino)-6-keto-hexanamide Formula: C23H23N5O4 MolecularWeight: 433.45982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O4/c1-3-15-7-6-8-16(11-15)26-23-17-12-19(20(32-2)13-18(17)24-14-25-23)27-21(29)9-4-5-10-22(30)28-31/h1,6-8,11-14,31H,4-5,9-10H2,2H3,(H,27,29)(H,28,30)(H,24,25,26)