6-[2-(2,5-dihydropyridin-4-yl)ethynyl]-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine

Systemtic Name: 6-[2-(2,5-dihydropyridin-4-yl)ethynyl]-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine Openeye Name: 6-[2-(2,5-dihydropyridin-4-yl)ethynyl]-N-(3-methoxy-4-phenoxy-phenyl)quinazolin-4-amine CAS Name: 6-[2-(2,5-dihydropyridin-4-yl)ethynyl]-N-(3-methoxy-4-phenoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[2-(2,5-dihydropyridin-4-yl)ethynyl]-N-(3-methoxy-4-phenoxyphenyl)quinazolin-4-amine Traditional Name: [6-[2-(2,5-dihydropyridin-4-yl)ethynyl]quinazolin-4-yl]-(3-methoxy-4-phenoxy-phenyl)amine Formula: C28H22N4O2 MolecularWeight: 446.49988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4=CCN=CC4)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4=CCN=CC4)OC5=CC=CC=C5

InChI

InChI=1S/C28H22N4O2/c1-33-27-18-22(10-12-26(27)34-23-5-3-2-4-6-23)32-28-24-17-21(9-11-25(24)30-19-31-28)8-7-20-13-15-29-16-14-20/h2-6,9-13,16-19H,14-15H2,1H3,(H,30,31,32)