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

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]-N'-oxidanyl-butanediamide Openeye Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-4-(hydroxyamino)-4-oxo-butanamide CAS Name: N-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]-N'-hydroxybutanediamide IUPAC Name: N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]-N'-hydroxybutanediamide Traditional Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]-4-(hydroxyamino)-4-keto-butyramide Formula: C21H19N5O4 MolecularWeight: 405.40666

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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)CCC(=O)NO

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O4/c1-3-13-5-4-6-14(9-13)24-21-15-10-17(25-19(27)7-8-20(28)26-29)18(30-2)11-16(15)22-12-23-21/h1,4-6,9-12,29H,7-8H2,2H3,(H,25,27)(H,26,28)(H,22,23,24)