N-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]morpholine-4-carboxamide

Systemtic Name: N-[4-[(3-ethynylphenyl)amino]-7-methoxy-quinazolin-6-yl]morpholine-4-carboxamide Openeye Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]morpholine-4-carboxamide CAS Name: N-[4-(3-ethynylanilino)-7-methoxy-6-quinazolinyl]-4-morpholinecarboxamide IUPAC Name: N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]morpholine-4-carboxamide Traditional Name: N-[4-(3-ethynylanilino)-7-methoxy-quinazolin-6-yl]morpholine-4-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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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)N4CCOCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)NC(=O)N4CCOCC4

InChI

InChI=1S/C22H21N5O3/c1-3-15-5-4-6-16(11-15)25-21-17-12-19(20(29-2)13-18(17)23-14-24-21)26-22(28)27-7-9-30-10-8-27/h1,4-6,11-14H,7-10H2,2H3,(H,26,28)(H,23,24,25)