5-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-2-one

Systemtic Name: 5-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-2-one Openeye Name: 5-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-2-one CAS Name: 5-[2-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-2-piperidinone IUPAC Name: 5-[2-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-2-one Traditional Name: 5-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-2-piperidone Formula: C28H24N4O3 MolecularWeight: 464.51516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCC(=O)NC4)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCC(=O)NC4)OC5=CC=CC=C5

InChI

InChI=1S/C28H24N4O3/c1-34-26-16-21(11-13-25(26)35-22-5-3-2-4-6-22)32-28-23-15-19(9-12-24(23)30-18-31-28)7-8-20-10-14-27(33)29-17-20/h2-6,9,11-13,15-16,18,20H,10,14,17H2,1H3,(H,29,33)(H,30,31,32)