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

Systemtic Name: 6-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]morpholin-3-one Openeye Name: 6-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]morpholin-3-one CAS Name: 6-[2-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-3-morpholinone IUPAC Name: 6-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]morpholin-3-one Traditional Name: 6-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]morpholin-3-one Formula: C27H22N4O3 MolecularWeight: 450.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNC(=O)CO4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CNC(=O)CO4)OC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O3/c1-18-13-20(9-12-25(18)34-21-5-3-2-4-6-21)31-27-23-14-19(8-11-24(23)29-17-30-27)7-10-22-15-28-26(32)16-33-22/h2-6,8-9,11-14,17,22H,15-16H2,1H3,(H,28,32)(H,29,30,31)