6-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]morpholin-3-one

Systemtic Name: 6-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]morpholin-3-one Openeye Name: 6-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]morpholin-3-one CAS Name: 6-[2-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-3-morpholinone IUPAC Name: 6-[2-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]ethynyl]morpholin-3-one Traditional Name: 6-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]morpholin-3-one Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNC(=O)CO4)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNC(=O)CO4)OC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O4/c1-33-25-14-19(9-12-24(25)35-20-5-3-2-4-6-20)31-27-22-13-18(8-11-23(22)29-17-30-27)7-10-21-15-28-26(32)16-34-21/h2-6,8-9,11-14,17,21H,15-16H2,1H3,(H,28,32)(H,29,30,31)